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CHEMDIV-ZINC02690330

 MMsINC code: MMs00884386
Type: Neutral
Formula: C26H23N3O
SMILES:   O(C)c1cc2C3=NN=C(C3=CN(c2cc1)Cc1cc(ccc1)C)c1ccc(cc1)C
InChI:   InChI=1/C26H23N3O/c1-17-7-9-20(10-8-17)25-23-16-29(15-19-6-4-5-18(2)13-19)24-12-11-21(30-3)14-22(24)26(23)28-27-25/h4-14,16H,15H2,1-3H3

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Potential Energy
Epot(MMFF94)=174.56 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: 0.0536578  Sterimol/B1: 3.5712  Sterimol/B2: 3.7159  Sterimol/B3: 4.82399
  Sterimol/B4: 7.72209  Sterimol/L: 18.2091 
 
 Surface and Volume Properties
  Accessible surface: 674.427  Positive charged surface: 411.617  Negative charged surface: 262.811  Volume: 392.875
  Hydrophobic surface: 596.65  Hydrophilic surface: 77.777
 
 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.