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CHEMBRIDGE-ZINC02081810

MMsINC code: MMs00701824

Type: Neutral
Formula: C26H24N2O
SMILES:   O=C(NC(C)c1ccccc1)c1cc(nc2c1cccc2)-c1cc(C)c(cc1)C
InChI:   InChI=1/C26H24N2O/c1-17-13-14-21(15-18(17)2)25-16-23(22-11-7-8-12-24(22)28-25)26(29)27-19(3)20-9-5-4-6-10-20/h4-16,19H,1-3H3,(H,27,29)/t19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=113.53 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.491 g/mol  logS: -7.55768  SlogP: 6.10514  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0431518  Sterimol/B1: 2.30136  Sterimol/B2: 3.53618  Sterimol/B3: 3.83612
  Sterimol/B4: 11.7033  Sterimol/L: 16.6505 
 
 Surface and Volume Properties
  Accessible surface: 679.56  Positive charged surface: 371.433  Negative charged surface: 298.085  Volume: 390.25
  Hydrophobic surface: 618.048  Hydrophilic surface: 61.512
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1

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Ions/Tautomers related molecules: no related molecules available.