Mrv1909 12181922362D          

 15 12  0  0  0  0            999 V2000
   -3.6669   -0.7520    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0884   -0.3572    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3240   -1.0717    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1509    0.3572    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5634    1.0716    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5615   -1.7861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5615   -0.3572    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8009    1.7861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8009    0.3572    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9133   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3259    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1490   -1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3884    1.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3259   -1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6000   -2.2475    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2 10  2  0  0  0  0
  3 12  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  2  0  0  0  0
  5 13  2  0  0  0  0
  6 12  1  0  0  0  0
 12  7  1  0  0  0  0
  8 13  1  0  0  0  0
 13  9  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
> <DATABASE_ID>
DBSALT002907

> <DATABASE_NAME>
drugbank

> <SMILES>
Cl.Cl.C\C(\C=N\N=C(N)N)=N/N=C(N)N

> <INCHI_IDENTIFIER>
InChI=1S/C5H12N8.2ClH/c1-3(11-13-5(8)9)2-10-12-4(6)7;;/h2H,1H3,(H4,6,7,12)(H4,8,9,13);2*1H/b10-2+,11-3+;;

> <INCHI_KEY>
VVTBQCXLZQYGQE-PVTAQEPXSA-N

> <FORMULA>
C5H14Cl2N8

> <MOLECULAR_WEIGHT>
257.12

> <EXACT_MASS>
256.0718479

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
29

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
1.0829510098422381

> <JCHEM_AVERAGE_POLARIZABILITY>
18.58017427661637

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N''-[(E)-[(1E)-1-{[(diaminomethylidene)amino]imino}propan-2-ylidene]amino]guanidine dihydrochloride

> <ALOGPS_LOGP>
0.93

> <JCHEM_LOGP>
-2.165526600333333

> <ALOGPS_LOGS>
-2.65

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
2

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
17.066628177807388

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.463998949559883

> <JCHEM_PKA_STRONGEST_BASIC>
7.377679809610221

> <JCHEM_POLAR_SURFACE_AREA>
153.51999999999998

> <JCHEM_REFRACTIVITY>
48.8531

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.12e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
doravirine

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT002907

> <NAME>
Mitoguazone dihydrochloride

> <DRUG_DRUGBANK_ID>
DB12967

> <DRUG_NAME>
Mitoguazone

> <CAS_NUMBER>
7059-23-6

> <UNII>
NNI098FX5Q

$$$$