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CHEMBRIDGE-ZINC00955477

 MMsINC code: MMs00648392
Type: Neutral
Formula: C24H23ClN2O3
SMILES:   Clc1cccc(NC(=O)COc2ccc(cc2)C(=O)Nc2ccccc2CC)c1C
InChI:   InChI=1/C24H23ClN2O3/c1-3-17-7-4-5-9-22(17)27-24(29)18-11-13-19(14-12-18)30-15-23(28)26-21-10-6-8-20(25)16(21)2/h4-14H,3,15H2,1-2H3,(H,26,28)(H,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=130.255 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.912 g/mol  logS: -6.97213  SlogP: 5.48059  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0175527  Sterimol/B1: 2.25511  Sterimol/B2: 3.27599  Sterimol/B3: 3.53424
  Sterimol/B4: 8.17256  Sterimol/L: 22.6665 
 
 Surface and Volume Properties
  Accessible surface: 720.945  Positive charged surface: 390.637  Negative charged surface: 330.308  Volume: 402.125
  Hydrophobic surface: 625.427  Hydrophilic surface: 95.518
 
 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.