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PUBCHEM-ZINC00397541

 MMsINC code: MMs02674177
Type: Neutral
Formula: C14H12Cl2N2O2
SMILES:   Clc1ccccc1NC(=O)Nc1ccc(Cl)cc1OC
InChI:   InChI=1/C14H12Cl2N2O2/c1-20-13-8-9(15)6-7-12(13)18-14(19)17-11-5-3-2-4-10(11)16/h2-8H,1H3,(H2,17,18,19)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.2605 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.168 g/mol  logS: -4.77101  SlogP: 4.646  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.042149  Sterimol/B1: 2.54781  Sterimol/B2: 2.5492  Sterimol/B3: 4.44976
  Sterimol/B4: 7.03846  Sterimol/L: 15.3195 
 
 Surface and Volume Properties
  Accessible surface: 524.938  Positive charged surface: 267.855  Negative charged surface: 257.083  Volume: 264.375
  Hydrophobic surface: 472.478  Hydrophilic surface: 52.46
 
 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.