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CHEMDIV-ZINC02133440

 MMsINC code: MMs00871020
Type: Neutral
Formula: C30H28N2O2
SMILES:   O=C(N(CCN(C(=O)c1cc(ccc1)C)c1ccccc1)c1ccccc1)c1cc(ccc1)C
InChI:   InChI=1/C30H28N2O2/c1-23-11-9-13-25(21-23)29(33)31(27-15-5-3-6-16-27)19-20-32(28-17-7-4-8-18-28)30(34)26-14-10-12-24(2)22-26/h3-18,21-22H,19-20H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=322.709 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 448.566 g/mol  logS: -7.85506  SlogP: 6.29724  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0647075  Sterimol/B1: 2.5728  Sterimol/B2: 4.68807  Sterimol/B3: 4.99476
  Sterimol/B4: 8.81754  Sterimol/L: 17.7402 
 
 Surface and Volume Properties
  Accessible surface: 681.032  Positive charged surface: 374.773  Negative charged surface: 306.259  Volume: 445.625
  Hydrophobic surface: 634.093  Hydrophilic surface: 46.939
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.