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CHEMBRIDGE-ZINC00955500

 MMsINC code: MMs00648402
Type: Neutral
Formula: C23H20Cl2N2O3
SMILES:   Clc1cc(NC(=O)COc2ccc(cc2)C(=O)NCCc2ccccc2)cc(Cl)c1
InChI:   InChI=1/C23H20Cl2N2O3/c24-18-12-19(25)14-20(13-18)27-22(28)15-30-21-8-6-17(7-9-21)23(29)26-11-10-16-4-2-1-3-5-16/h1-9,12-14H,10-11,15H2,(H,26,29)(H,27,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=99.3797 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 443.33 g/mol  logS: -6.87577  SlogP: 4.98337  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0166186  Sterimol/B1: 3.56737  Sterimol/B2: 3.62251  Sterimol/B3: 4.39953
  Sterimol/B4: 5.79921  Sterimol/L: 24.7604 
 
 Surface and Volume Properties
  Accessible surface: 757.238  Positive charged surface: 365.97  Negative charged surface: 391.268  Volume: 400.25
  Hydrophobic surface: 657.339  Hydrophilic surface: 99.899
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.