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CHEMDIV-ZINC04776921

 MMsINC code: MMs00953153
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-/m0/s1

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Potential Energy
Epot(MMFF94)=128.772 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: 0.275246  Sterimol/B1: 2.49999  Sterimol/B2: 3.4089  Sterimol/B3: 6.31373
  Sterimol/B4: 10.4152  Sterimol/L: 14.5943 
 
 Surface and Volume Properties
  Accessible surface: 682.771  Positive charged surface: 432.236  Negative charged surface: 250.535  Volume: 397.375
  Hydrophobic surface: 651.321  Hydrophilic surface: 31.45
 
 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.