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ASINEX-ZINC02559709

 MMsINC code: MMs00274811
Type: Neutral
Formula: C10H8ClNO2
SMILES:   Clc1cc2c([nH]c(C(O)=O)c2C)cc1
InChI:   InChI=1/C10H8ClNO2/c1-5-7-4-6(11)2-3-8(7)12-9(5)10(13)14/h2-4,12H,1H3,(H,13,14)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=17.1279 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.632 g/mol  logS: -2.69186  SlogP: 2.82792  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0115219  Sterimol/B1: 2.1029  Sterimol/B2: 2.15201  Sterimol/B3: 2.51178
  Sterimol/B4: 6.34613  Sterimol/L: 12.3364 
 
 Surface and Volume Properties
  Accessible surface: 384.064  Positive charged surface: 177.945  Negative charged surface: 200.718  Volume: 181.25
  Hydrophobic surface: 265.043  Hydrophilic surface: 119.021
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00274812
ASINEX-ZINC02559709