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CHEMDIV-ZINC00041246

 MMsINC code: MMs00829710
Type: Neutral
Formula: C14H12ClNO3
SMILES:   Clc1ccccc1NC(=O)COc1ccccc1O
InChI:   InChI=1/C14H12ClNO3/c15-10-5-1-2-6-11(10)16-14(18)9-19-13-8-4-3-7-12(13)17/h1-8,17H,9H2,(H,16,18)

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Potential Energy
Epot(MMFF94)=87.1485 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.707 g/mol  logS: -3.80403  SlogP: 3.0631  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0138489  Sterimol/B1: 2.097  Sterimol/B2: 2.86475  Sterimol/B3: 3.36612
  Sterimol/B4: 6.28148  Sterimol/L: 16.3131 
 
 Surface and Volume Properties
  Accessible surface: 500.53  Positive charged surface: 259.84  Negative charged surface: 240.69  Volume: 244.625
  Hydrophobic surface: 406.865  Hydrophilic surface: 93.665
 
 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.