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CHEMBRIDGE-ZINC01455228

MMsINC code: MMs00694153

Type: Neutral
Formula: C20H15ClN2O3
SMILES:   Clc1ccc(cc1)C(=O)N\C(=C\c1occc1)\C(=O)Nc1ccccc1
InChI:   InChI=1/C20H15ClN2O3/c21-15-10-8-14(9-11-15)19(24)23-18(13-17-7-4-12-26-17)20(25)22-16-5-2-1-3-6-16/h1-13H,(H,22,25)(H,23,24)/b18-13-

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=109.817 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.804 g/mol  logS: -6.35257  SlogP: 4.3426  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0293072  Sterimol/B1: 2.97069  Sterimol/B2: 3.04254  Sterimol/B3: 4.12771
  Sterimol/B4: 8.43556  Sterimol/L: 17.439 
 
 Surface and Volume Properties
  Accessible surface: 618.171  Positive charged surface: 284.711  Negative charged surface: 333.46  Volume: 332.5
  Hydrophobic surface: 553.28  Hydrophilic surface: 64.891
 
 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.