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PUBCHEM-ZINC02073494

 MMsINC code: MMs02869587
Type: Neutral
Formula: C28H24ClN3O2
SMILES:   Clc1ccc(cc1NC(=O)CC(c1ccccc1)c1ccccc1)C(=O)Nc1nccc(c1)C
InChI:   InChI=1/C28H24ClN3O2/c1-19-14-15-30-26(16-19)32-28(34)22-12-13-24(29)25(17-22)31-27(33)18-23(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-17,23H,18H2,1H3,(H,31,33)(H,30,32,34)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=135.936 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 469.972 g/mol  logS: -7.17204  SlogP: 6.45642  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0825673  Sterimol/B1: 4.07035  Sterimol/B2: 4.20641  Sterimol/B3: 6.19464
  Sterimol/B4: 8.11547  Sterimol/L: 21.5134 
 
 Surface and Volume Properties
  Accessible surface: 783.254  Positive charged surface: 443.185  Negative charged surface: 340.069  Volume: 446.625
  Hydrophobic surface: 707.59  Hydrophilic surface: 75.664
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.