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IBS-ZINC00349172

 MMsINC code: MMs01735106
Type: Neutral
Formula: C13H7ClN2O2
SMILES:   Clc1c2c(ccc1)C(=O)N(C2=O)c1ncccc1
InChI:   InChI=1/C13H7ClN2O2/c14-9-5-3-4-8-11(9)13(18)16(12(8)17)10-6-1-2-7-15-10/h1-7H

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Potential Energy
Epot(MMFF94)=50.0169 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.664 g/mol  logS: -3.546  SlogP: 2.5356  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.000357088  Sterimol/B1: 2.09938  Sterimol/B2: 2.23255  Sterimol/B3: 2.95982
  Sterimol/B4: 6.1692  Sterimol/L: 13.7138 
 
 Surface and Volume Properties
  Accessible surface: 431.68  Positive charged surface: 213.994  Negative charged surface: 217.685  Volume: 217.5
  Hydrophobic surface: 348.215  Hydrophilic surface: 83.465
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.