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ASINEX-ZINC00266272

 MMsINC code: MMs00103125
Type: Neutral
Formula: C10H7ClN2O2
SMILES:   Clc1ccccc1-c1noc(c1)C(=O)N
InChI:   InChI=1/C10H7ClN2O2/c11-7-4-2-1-3-6(7)8-5-9(10(12)14)15-13-8/h1-5H,(H2,12,14)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.1773 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.631 g/mol  logS: -3.56574  SlogP: 2.0939  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.83016e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09945  Sterimol/B3: 2.48195
  Sterimol/B4: 6.21703  Sterimol/L: 13.5779 
 
 Surface and Volume Properties
  Accessible surface: 398.651  Positive charged surface: 185.798  Negative charged surface: 212.853  Volume: 187
  Hydrophobic surface: 263.729  Hydrophilic surface: 134.922
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.