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ENAMINE-ZINC03345395

 MMsINC code: MMs01385950
Type: Neutral
Formula: C24H29N3O2
SMILES:   O=C1N(CN(Cc2ccccc2)Cc2ccccc2)C(=O)NC12CCC(CC2)C
InChI:   InChI=1/C24H29N3O2/c1-19-12-14-24(15-13-19)22(28)27(23(29)25-24)18-26(16-20-8-4-2-5-9-20)17-21-10-6-3-7-11-21/h2-11,19H,12-18H2,1H3,(H,25,29)/t19-,24+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=87.6414 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.515 g/mol  logS: -5.16004  SlogP: 4.6798  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0914553  Sterimol/B1: 3.06434  Sterimol/B2: 5.22806  Sterimol/B3: 5.56419
  Sterimol/B4: 7.75733  Sterimol/L: 16.1236 
 
 Surface and Volume Properties
  Accessible surface: 654.579  Positive charged surface: 418.216  Negative charged surface: 236.363  Volume: 391.125
  Hydrophobic surface: 545.406  Hydrophilic surface: 109.173
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.