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CHEMBRIDGE-ZINC00392858

 MMsINC code: MMs00612019
Type: Neutral
Formula: C14H12Cl2N2O2
SMILES:   Clc1cc(NC(=O)Nc2ccc(OC)cc2)ccc1Cl
InChI:   InChI=1/C14H12Cl2N2O2/c1-20-11-5-2-9(3-6-11)17-14(19)18-10-4-7-12(15)13(16)8-10/h2-8H,1H3,(H2,17,18,19)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.5011 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: 0.0279753  Sterimol/B1: 3.12361  Sterimol/B2: 3.28546  Sterimol/B3: 4.26299
  Sterimol/B4: 4.54389  Sterimol/L: 17.751 
 
 Surface and Volume Properties
  Accessible surface: 528.58  Positive charged surface: 274.039  Negative charged surface: 254.541  Volume: 266.25
  Hydrophobic surface: 456.855  Hydrophilic surface: 71.725
 
 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.