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NCID-ZINC01749698

 MMsINC code: MMs02361761
Type: Neutral
Formula: C14H11Cl2NO2
SMILES:   Clc1cc(OCC(=O)Nc2ccc(Cl)cc2)ccc1
InChI:   InChI=1/C14H11Cl2NO2/c15-10-4-6-12(7-5-10)17-14(18)9-19-13-3-1-2-11(16)8-13/h1-8H,9H2,(H,17,18)

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Potential Energy
Epot(MMFF94)=71.1216 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.153 g/mol  logS: -4.90027  SlogP: 4.0109  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0128631  Sterimol/B1: 2.26385  Sterimol/B2: 2.74874  Sterimol/B3: 2.93958
  Sterimol/B4: 5.95559  Sterimol/L: 17.5551 
 
 Surface and Volume Properties
  Accessible surface: 522.383  Positive charged surface: 224.782  Negative charged surface: 297.601  Volume: 256.5
  Hydrophobic surface: 468.472  Hydrophilic surface: 53.911
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.