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PUBCHEM-ZINC06414866

 MMsINC code: MMs03716276
Type: Neutral
Formula: C10H9ClN2O2
SMILES:   Clc1ccc(cc1)\C=C/C(=O)NC(=O)N
InChI:   InChI=1/C10H9ClN2O2/c11-8-4-1-7(2-5-8)3-6-9(14)13-10(12)15/h1-6H,(H3,12,13,14,15)/b6-3-

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Potential Energy
Epot(MMFF94)=37.7184 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.647 g/mol  logS: -3.10564  SlogP: 1.5481  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0599181  Sterimol/B1: 2.09962  Sterimol/B2: 3.66863  Sterimol/B3: 4.47819
  Sterimol/B4: 4.81568  Sterimol/L: 12.6661 
 
 Surface and Volume Properties
  Accessible surface: 409.878  Positive charged surface: 211.235  Negative charged surface: 198.643  Volume: 195.625
  Hydrophobic surface: 268.108  Hydrophilic surface: 141.77
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.