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PUBCHEM-ZINC00436206

 MMsINC code: MMs02683423
Type: Neutral
Formula: C13H11ClN2O3
SMILES:   Clc1ccc(cc1)CC(=O)NNC(=O)c1occc1
InChI:   InChI=1/C13H11ClN2O3/c14-10-5-3-9(4-6-10)8-12(17)15-16-13(18)11-2-1-7-19-11/h1-7H,8H2,(H,15,17)(H,16,18)

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Potential Energy
Epot(MMFF94)=61.3969 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.695 g/mol  logS: -4.13073  SlogP: 1.93667  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0489055  Sterimol/B1: 3.59042  Sterimol/B2: 3.61863  Sterimol/B3: 3.61889
  Sterimol/B4: 4.5141  Sterimol/L: 17.6438 
 
 Surface and Volume Properties
  Accessible surface: 510.064  Positive charged surface: 242.332  Negative charged surface: 267.732  Volume: 245.5
  Hydrophobic surface: 396.382  Hydrophilic surface: 113.682
 
 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.