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OTAVA-ZINC01993545

 MMsINC code: MMs02579305
Type: Neutral
Formula: C24H23ClN2O3
SMILES:   Clc1cc(C)c(NC(=O)COc2ccc(cc2)C(=O)Nc2ccccc2CC)cc1
InChI:   InChI=1/C24H23ClN2O3/c1-3-17-6-4-5-7-22(17)27-24(29)18-8-11-20(12-9-18)30-15-23(28)26-21-13-10-19(25)14-16(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)=127.804 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: 0.0171379  Sterimol/B1: 2.26076  Sterimol/B2: 3.28325  Sterimol/B3: 3.55444
  Sterimol/B4: 8.15304  Sterimol/L: 23.8518 
 
 Surface and Volume Properties
  Accessible surface: 726.785  Positive charged surface: 390.859  Negative charged surface: 335.925  Volume: 401.125
  Hydrophobic surface: 631.267  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.