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CHEMDIV-ZINC04776922

 MMsINC code: MMs00953154
Type: Neutral
Formula: C26H23N3O
SMILES:   O(C)c1ccc(cc1)C1n2nc(C)c(c2N=C(C1)c1ccccc1)-c1ccccc1
InChI:   InChI=1/C26H23N3O/c1-18-25(21-11-7-4-8-12-21)26-27-23(19-9-5-3-6-10-19)17-24(29(26)28-18)20-13-15-22(30-2)16-14-20/h3-16,24H,17H2,1-2H3/t24-/m1/s1

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Potential Energy
Epot(MMFF94)=126.719 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.49 g/mol  logS: -6.83854  SlogP: 6.07652  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102096  Sterimol/B1: 1.969  Sterimol/B2: 3.55251  Sterimol/B3: 4.84688
  Sterimol/B4: 12.1937  Sterimol/L: 17.2958 
 
 Surface and Volume Properties
  Accessible surface: 695.781  Positive charged surface: 436.787  Negative charged surface: 258.995  Volume: 396.375
  Hydrophobic surface: 665.362  Hydrophilic surface: 30.419
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.