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CHEMBRIDGE-ZINC02856751

 MMsINC code: MMs00727686
Type: Neutral
Formula: C25H26N2O2
SMILES:   O=C(NC(c1ccccc1)c1ccccc1)c1ccc(NC(=O)CCCC)cc1
InChI:   InChI=1/C25H26N2O2/c1-2-3-14-23(28)26-22-17-15-21(16-18-22)25(29)27-24(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,15-18,24H,2-3,14H2,1H3,(H,26,28)(H,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.493 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.495 g/mol  logS: -6.50847  SlogP: 5.4302  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0898869  Sterimol/B1: 3.55342  Sterimol/B2: 5.05238  Sterimol/B3: 5.83624
  Sterimol/B4: 5.94996  Sterimol/L: 19.6906 
 
 Surface and Volume Properties
  Accessible surface: 721.7  Positive charged surface: 439.342  Negative charged surface: 282.358  Volume: 398.375
  Hydrophobic surface: 627.087  Hydrophilic surface: 94.613
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.