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ASINEX-ZINC03140576

 MMsINC code: MMs00286707
Type: Neutral
Formula: C25H26N2O
SMILES:   O=C(NN=C(\C=C\c1ccccc1)\C=C\c1ccccc1)C1C2C1CCCC2
InChI:   InChI=1/C25H26N2O/c28-25(24-22-13-7-8-14-23(22)24)27-26-21(17-15-19-9-3-1-4-10-19)18-16-20-11-5-2-6-12-20/h1-6,9-12,15-18,22-24H,7-8,13-14H2,(H,27,28)/b17-15+,18-16+/t22-,23+,24+

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Potential Energy
Epot(MMFF94)=124.496 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.496 g/mol  logS: -7.11629  SlogP: 5.3216  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0246329  Sterimol/B1: 2.5337  Sterimol/B2: 3.40197  Sterimol/B3: 3.76247
  Sterimol/B4: 12.9172  Sterimol/L: 18.7007 
 
 Surface and Volume Properties
  Accessible surface: 720.208  Positive charged surface: 411.857  Negative charged surface: 308.351  Volume: 389.625
  Hydrophobic surface: 662.752  Hydrophilic surface: 57.456
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.