537
  Mrv0541 02231214452D          

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    4.2364    2.0072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930    0.7697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    2.0072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -0.4678    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1488   -0.4877    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5746   -1.3182    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4359   -0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8075    1.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
DB00537

> <DATABASE_NAME>
drugbank

> <SMILES>
OC(=O)C1=CN(C2CC2)C2=CC(N3CCNCC3)=C(F)C=C2C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)

> <INCHI_KEY>
MYSWGUAQZAJSOK-UHFFFAOYSA-N

> <FORMULA>
C17H18FN3O3

> <MOLECULAR_WEIGHT>
331.3415

> <EXACT_MASS>
331.133219662

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.05116860833081327

> <JCHEM_AVERAGE_POLARIZABILITY>
33.10994093110189

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid

> <ALOGPS_LOGP>
-0.57

> <JCHEM_LOGP>
-0.8633975526767507

> <ALOGPS_LOGS>
-2.39

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.563760427517942

> <JCHEM_PKA_STRONGEST_BASIC>
8.76528934501953

> <JCHEM_POLAR_SURFACE_AREA>
72.88

> <JCHEM_REFRACTIVITY>
87.93939999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.35e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00537

> <SECONDARY_ACCESSION_NUMBERS>
APRD00424; EXPT00999

> <DRUG_GROUPS>
approved; investigational

> <GENERIC_NAME>
Ciprofloxacin

> <SYNONYMS>
1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid; 1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid; 1-Cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydro-quinoline-3-carboxylic acid; 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid; 1-Cyclopropyl-6-fluoro-7-(4-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid; 1-cyclopropyl-6-fluoro-7-hexahydro-1-pyrazinyl-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid; Ciprofloxacin; Ciprofloxacine; Ciprofloxacino; Ciprofloxacinum

> <PRODUCTS>
Act Ciprofloxacin; Ag-ciprofloxacin; Apo-ciproflox; Auro-ciprofloxacin; Bio-ciprofloxacin; Cetraxal; Ciloxan; Cipro; Cipro 100 - Tab 100mg; Cipro HC; Cipro HC Otic Suspension; Cipro I.V. - Liq 10mg/ml; Cipro I.V. Minibags 2mg/ml; Cipro IV 10mg/ml; Cipro Oral Suspension; Cipro Tab 100mg; Cipro Tab 250mg; Cipro Tab 500mg; Cipro Tab 750mg; Cipro XL; Cipro XR; Ciprodex; Ciprofloxacin; Ciprofloxacin HCL; Ciprofloxacin HCl Ophthalmic; Ciprofloxacin Hydrochloride; Ciprofloxacin Injection; Ciprofloxacin Injection USP; Ciprofloxacin Injection, USP; Ciprofloxacin Intravenous Infusion; Ciprofloxacin Intravenous Infusion BP; Ciprofloxacin Intravenous Infusion, BP; Ciprofloxacin Omega; Ciprofloxacin Otic; Ciprofloxacin Tablets; Ciprofloxacin Tablets USP; Ciprofloxacin and Dexamethasone; Ciprofloxacin and Dextrose; Ciprofloxacin and Fluocinolone Acetonide; Ciprofloxacin and dexamethasone; Ciprofloxacin hydrochloride; Ciprofloxacin in Dextrose; Ciprofloxacin-250; Ciprofloxacin-500; Ciprofloxacin-750; Dom-ciprofloxacin; Ipg-ciprofloxacin; Jamp-ciprofloxacin; Mar-ciprofloxacin; Mint-ciproflox; Mint-ciprofloxacin; Mylan-ciprofloxacin; Mylan-ciprofloxacin XL; Nra-ciprofloxacin; Nu-ciproflox; Nu-ciprofloxacin Tablets; Otiprio; Otixal; Otovel; PHL-ciprofloxacin; PMS-ciprofloxacin; PMS-ciprofloxacin 0.3%; PMS-ciprofloxacin XL; Priva-ciprofloxacin; Pro-ciprofloxacin; ProQuin XR; Proquin XR; Q-ciprofloxacin; Ran-ciprofloxacin; Ratio-ciprofloxacin; Riva-ciprofloxacin; Sandoz Ciprofloxacin; Sandoz Ciprofloxacin / Dexamethasone; Septa-ciprofloxacin; Taro-ciproflox; Taro-ciprofloxacin; Taro-ciprofloxacin/dexamethasone; Teva-ciprofloxacin; Truemed Group LLC; Van-ciprofloxacin

> <INTERNATIONAL_BRANDS>
Bacquinor; Baycip; Ciflox; Cifloxin; Ciprinol; Ciprobay; Ciprocinol; Ciprodar; Ciproxan; Ciproxin; Flociprin; Proquin

> <SALTS>
Ciprofloxacin hydrochloride; Ciprofloxacin lactate

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