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CHEMBRIDGE-ZINC02991686

 MMsINC code: MMs00747328
Type: Neutral
Formula: C23H21ClN2O3
SMILES:   Clc1cc(ccc1)C(=O)Nc1ccc(NC(=O)c2cc(OCCC)ccc2)cc1
InChI:   InChI=1/C23H21ClN2O3/c1-2-13-29-21-8-4-6-17(15-21)23(28)26-20-11-9-19(10-12-20)25-22(27)16-5-3-7-18(24)14-16/h3-12,14-15H,2,13H2,1H3,(H,25,27)(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=111.712 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.885 g/mol  logS: -6.63851  SlogP: 5.6334  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.014805  Sterimol/B1: 2.72646  Sterimol/B2: 3.52205  Sterimol/B3: 3.74303
  Sterimol/B4: 6.04456  Sterimol/L: 24.2278 
 
 Surface and Volume Properties
  Accessible surface: 720.734  Positive charged surface: 386.7  Negative charged surface: 334.034  Volume: 384.5
  Hydrophobic surface: 613.66  Hydrophilic surface: 107.074
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.