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CHEMBRIDGE-ZINC00409630

 MMsINC code: MMs00612350
Type: Neutral
Formula: C10H11ClN2O
SMILES:   Clc1ccc(NC(=O)NC2CC2)cc1
InChI:   InChI=1/C10H11ClN2O/c11-7-1-3-8(4-2-7)12-10(14)13-9-5-6-9/h1-4,9H,5-6H2,(H2,12,13,14)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.3867 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.664 g/mol  logS: -2.71486  SlogP: 2.6239  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0350955  Sterimol/B1: 2.60916  Sterimol/B2: 2.9575  Sterimol/B3: 3.40763
  Sterimol/B4: 4.80945  Sterimol/L: 14.3995 
 
 Surface and Volume Properties
  Accessible surface: 424.973  Positive charged surface: 228.506  Negative charged surface: 196.467  Volume: 195.375
  Hydrophobic surface: 317.024  Hydrophilic surface: 107.949
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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.