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CHEMBRIDGE-ZINC02779359

MMsINC code: MMs00716453

Type: Neutral
Formula: C15H13ClN2O3
SMILES:   Clc1ccccc1C(=O)NNC(=O)c1ccc(OC)cc1
InChI:   InChI=1/C15H13ClN2O3/c1-21-11-8-6-10(7-9-11)14(19)17-18-15(20)12-4-2-3-5-13(12)16/h2-9H,1H3,(H,17,19)(H,18,20)

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Potential Energy
Epot(MMFF94)=95.1128 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.733 g/mol  logS: -4.36807  SlogP: 2.4234  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0022097  Sterimol/B1: 2.37432  Sterimol/B2: 2.3748  Sterimol/B3: 3.92882
  Sterimol/B4: 5.66854  Sterimol/L: 18.3489 
 
 Surface and Volume Properties
  Accessible surface: 537.106  Positive charged surface: 283.821  Negative charged surface: 253.286  Volume: 270
  Hydrophobic surface: 440.652  Hydrophilic surface: 96.454
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.