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ENAMINE-ZINC05974997

 MMsINC code: MMs01649207
Type: Neutral
Formula: C24H24N2O2
SMILES:   O(\N=C(\C)/c1ccccc1)Cc1ccc(cc1)CO\N=C(/C)\c1ccccc1
InChI:   InChI=1/C24H24N2O2/c1-19(23-9-5-3-6-10-23)25-27-17-21-13-15-22(16-14-21)18-28-26-20(2)24-11-7-4-8-12-24/h3-16H,17-18H2,1-2H3/b25-19+,26-20+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=117.486 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.468 g/mol  logS: -6.00032  SlogP: 6.101  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0136219  Sterimol/B1: 2.24427  Sterimol/B2: 3.61747  Sterimol/B3: 3.61797
  Sterimol/B4: 6.18166  Sterimol/L: 25.0128 
 
 Surface and Volume Properties
  Accessible surface: 740.387  Positive charged surface: 442.325  Negative charged surface: 298.062  Volume: 391.5
  Hydrophobic surface: 697.273  Hydrophilic surface: 43.114
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.