Mrv1902 02031922472D          

 22 23  0  0  0  0            999 V2000
    0.3325   -1.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3325   -1.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0472   -2.2669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7616   -1.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7616   -1.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0472   -0.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4761   -2.2669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1906   -1.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1906   -1.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4761   -0.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4761    0.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    0.6211    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0553    0.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    1.4453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3560    0.6178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3461    0.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1906    1.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4759    2.2669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1905    1.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 10  1  0  0  0  0
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 12 14  1  0  0  0  0
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 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
> <DATABASE_ID>
DB00857

> <DATABASE_NAME>
drugbank

> <SMILES>
CN(C\C=C\C#CC(C)(C)C)CC1=CC=CC2=CC=CC=C12

> <INCHI_IDENTIFIER>
InChI=1S/C21H25N/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3/b9-5+

> <INCHI_KEY>
DOMXUEMWDBAQBQ-WEVVVXLNSA-N

> <FORMULA>
C21H25N

> <MOLECULAR_WEIGHT>
291.4299

> <EXACT_MASS>
291.198699805

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
47

> <JCHEM_AVERAGE_POLARIZABILITY>
35.837349567196924

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
[(2E)-6,6-dimethylhept-2-en-4-yn-1-yl](methyl)[(naphthalen-1-yl)methyl]amine

> <ALOGPS_LOGP>
5.51

> <JCHEM_LOGP>
5.527483033666666

> <ALOGPS_LOGS>
-5.60

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
8.858516802624113

> <JCHEM_POLAR_SURFACE_AREA>
3.24

> <JCHEM_REFRACTIVITY>
98.07520000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.38e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
saquinavir

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB00857

> <SECONDARY_ACCESSION_NUMBERS>
APRD00508

> <DRUG_GROUPS>
approved; investigational; vet_approved

> <GENERIC_NAME>
Terbinafine

> <SYNONYMS>
(E)-N-(6,6-Dimethyl-2-hepten-4-ynyl)-N-methyl-1-naphthalene methanamine; (E)-N-(6,6-Dimethyl-2-hepten-4-ynyl)-N-methyl-1-naphthalenemethylamine; Terbinafina; Terbinafine; Terbinafinum

> <PRODUCTS>
Act Terbinafine; Antifungal; Antifungal Foot; Apo-terbinafine; Athletes Foot; Auro-terbinafine; CVS Pharmacy Athletes Foot; Ciclopirox 8% / Fluconazole 1% / Terbinafine HCl 1%; Cvs; Dom-terbinafine; Fluconazole 4% / Ibuprofen 2% / Itraconazole 1% / Terbinafine HCl 4%; Good Neighbor Pharmacy; GoodSense Terbinafine Hydrochloride; Jamp-terbinafine; KAISER PERMANENTE Terbinafine Hydrochloride; Kroger Antifungal; LAMISIL AT Continuous; Lamisil; Lamisil AT; Lamisil AT Cream; Lamisil AT Jock Itch; Lamisil AT for Jock Itch; Lamisil At; Lamisil At Antifungal; Lamisil Dermgel; Live Better Antifungal; Mylan-terbinafine; Nu-terbinafine; Onycho-Med; PHL-terbinafine; PMS-terbinafine; PMS-terbinafine Cream; PMS-terbinafine Spray; Preferred Plus; Q-terbinafine; Riva-terbinafine; Sandoz-terbinafine; ShopRite; Shopko Athletes Foot; Silka Antifungal; Silka Gel; Silka Jock Itch; Terbinafine; Terbinafine HCl 5%; Terbinafine HCl Chlortimazole and Tolnaftate; Terbinafine HCl Ciclopirox; Terbinafine Hydochloride; Terbinafine Hydrochloride; Terbinafine-250; Terbinex; Teva-terbinafine; Walgreens Athletes Foot; equate Athletes Foot

> <INTERNATIONAL_BRANDS>
Lamasil

> <SALTS>
Terbinafine hydrochloride

$$$$