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ASINEX-ZINC02559709

 MMsINC code: MMs00274812
Type: Ionized
Formula: C10H7ClNO2-
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)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=15.8641 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.624 g/mol  logS: -2.95231  SlogP: 1.49322  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0135499  Sterimol/B1: 2.34737  Sterimol/B2: 2.37491  Sterimol/B3: 2.37583
  Sterimol/B4: 6.06803  Sterimol/L: 11.8302 
 
 Surface and Volume Properties
  Accessible surface: 378.629  Positive charged surface: 150.826  Negative charged surface: 222.402  Volume: 180.375
  Hydrophobic surface: 267.4  Hydrophilic surface: 111.229
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 0  Acid groups: 2  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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Parent related molecule:


MMs00274811
ASINEX-ZINC02559709