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ENAMINE-ZINC06864254

MMsINC code: MMs01707576

Type: Neutral
Formula: C26H24N2O3
SMILES:   O=C1N(C(Cc2ccccc2)C(=O)N2CCCCC2)C(=O)c2c3c1cccc3ccc2
InChI:   InChI=1/C26H24N2O3/c29-24-20-13-7-11-19-12-8-14-21(23(19)20)25(30)28(24)22(17-18-9-3-1-4-10-18)26(31)27-15-5-2-6-16-27/h1,3-4,7-14,22H,2,5-6,15-17H2/t22-/m0/s1

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Potential Energy
Epot(MMFF94)=102.314 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.489 g/mol  logS: -6.46271  SlogP: 4.05957  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.173716  Sterimol/B1: 2.38455  Sterimol/B2: 4.16424  Sterimol/B3: 5.38692
  Sterimol/B4: 9.41216  Sterimol/L: 15.4863 
 
 Surface and Volume Properties
  Accessible surface: 646.719  Positive charged surface: 384.038  Negative charged surface: 252.917  Volume: 396.875
  Hydrophobic surface: 592.484  Hydrophilic surface: 54.235
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.