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CHEMDIV-ZINC02688463

 MMsINC code: MMs00884143
Type: Neutral
Formula: C26H23N3O
SMILES:   O(C)c1ccccc1CN1C=C2C(=NN=C2c2ccc(cc2)C)c2cc(ccc12)C
InChI:   InChI=1/C26H23N3O/c1-17-8-11-19(12-9-17)25-22-16-29(15-20-6-4-5-7-24(20)30-3)23-13-10-18(2)14-21(23)26(22)28-27-25/h4-14,16H,15H2,1-3H3

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Potential Energy
Epot(MMFF94)=173.546 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.49 g/mol  logS: -7.36387  SlogP: 5.68954  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0626756  Sterimol/B1: 3.44653  Sterimol/B2: 3.83674  Sterimol/B3: 5.15625
  Sterimol/B4: 6.87255  Sterimol/L: 17.1351 
 
 Surface and Volume Properties
  Accessible surface: 648.272  Positive charged surface: 396.099  Negative charged surface: 252.173  Volume: 395.125
  Hydrophobic surface: 580.786  Hydrophilic surface: 67.486
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.