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ENAMINE-ZINC03387992

 MMsINC code: MMs01411919
Type: Neutral
Formula: C25H24N2O2
SMILES:   O=C(NC(c1ccccc1)c1ccccc1)C1N(Cc2c(C1)cccc2)C(=O)C
InChI:   InChI=1/C25H24N2O2/c1-18(28)27-17-22-15-9-8-14-21(22)16-23(27)25(29)26-24(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-15,23-24H,16-17H2,1H3,(H,26,29)/t23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=129.408 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.479 g/mol  logS: -5.32462  SlogP: 4.22747  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126473  Sterimol/B1: 2.29482  Sterimol/B2: 2.33161  Sterimol/B3: 6.71647
  Sterimol/B4: 9.55886  Sterimol/L: 16.2557 
 
 Surface and Volume Properties
  Accessible surface: 663.276  Positive charged surface: 388.839  Negative charged surface: 274.437  Volume: 384.375
  Hydrophobic surface: 621.68  Hydrophilic surface: 41.596
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.