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ENAMINE-ZINC03516080

 MMsINC code: MMs01486163
Type: Neutral
Formula: C14H10Cl3NO2
SMILES:   Clc1cccc(Cl)c1NC(=O)COc1cc(Cl)ccc1
InChI:   InChI=1/C14H10Cl3NO2/c15-9-3-1-4-10(7-9)20-8-13(19)18-14-11(16)5-2-6-12(14)17/h1-7H,8H2,(H,18,19)

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Potential Energy
Epot(MMFF94)=88.1964 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.598 g/mol  logS: -5.63456  SlogP: 4.6643  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0625812  Sterimol/B1: 2.7549  Sterimol/B2: 4.46253  Sterimol/B3: 4.97894
  Sterimol/B4: 6.01673  Sterimol/L: 16.3795 
 
 Surface and Volume Properties
  Accessible surface: 536.411  Positive charged surface: 202.321  Negative charged surface: 334.091  Volume: 270.875
  Hydrophobic surface: 488.281  Hydrophilic surface: 48.13
 
 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.