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ASINEX-ZINC02550496

 MMsINC code: MMs00274661
Type: Neutral
Formula: C12H11ClN2O2
SMILES:   Clc1ccccc1NC(=O)NCc1occc1
InChI:   InChI=1/C12H11ClN2O2/c13-10-5-1-2-6-11(10)15-12(16)14-8-9-4-3-7-17-9/h1-7H,8H2,(H2,14,15,16)

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Potential Energy
Epot(MMFF94)=25.85 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.685 g/mol  logS: -3.68195  SlogP: 3.5211  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0308168  Sterimol/B1: 2.52211  Sterimol/B2: 3.06418  Sterimol/B3: 3.24081
  Sterimol/B4: 6.37557  Sterimol/L: 15.4293 
 
 Surface and Volume Properties
  Accessible surface: 470.509  Positive charged surface: 231.226  Negative charged surface: 239.282  Volume: 225.75
  Hydrophobic surface: 392.966  Hydrophilic surface: 77.543
 
 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.