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CHEMBRIDGE-ZINC04834060

 MMsINC code: MMs00796062
Type: Neutral
Formula: C26H28N2O
SMILES:   O=C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)c1cc(cc(c1)C)C
InChI:   InChI=1/C26H28N2O/c1-20-17-21(2)19-24(18-20)26(29)28-15-13-27(14-16-28)25(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,17-19,25H,13-16H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=133.759 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.523 g/mol  logS: -5.95539  SlogP: 4.94634  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11298  Sterimol/B1: 2.44333  Sterimol/B2: 4.61783  Sterimol/B3: 5.92033
  Sterimol/B4: 7.0142  Sterimol/L: 17.2982 
 
 Surface and Volume Properties
  Accessible surface: 678.923  Positive charged surface: 431.517  Negative charged surface: 247.406  Volume: 401
  Hydrophobic surface: 645.731  Hydrophilic surface: 33.192
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00796063
CHEMBRIDGE-ZINC04834060