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ASINEX-ZINC04714051

 MMsINC code: MMs00363640
Type: Neutral
Formula: C25H17NO2
SMILES:   O1C(=N\C(=C\c2c3c(cc4c2cccc4)cccc3)\C1=O)c1ccccc1C
InChI:   InChI=1/C25H17NO2/c1-16-8-2-5-11-19(16)24-26-23(25(27)28-24)15-22-20-12-6-3-9-17(20)14-18-10-4-7-13-21(18)22/h2-15H,1H3/b23-15-

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Potential Energy
Epot(MMFF94)=147.455 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.416 g/mol  logS: -9.28669  SlogP: 5.64592  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.131079  Sterimol/B1: 2.80949  Sterimol/B2: 4.62933  Sterimol/B3: 4.86867
  Sterimol/B4: 6.8386  Sterimol/L: 15.9258 
 
 Surface and Volume Properties
  Accessible surface: 583.916  Positive charged surface: 310.265  Negative charged surface: 256.438  Volume: 352
  Hydrophobic surface: 510.54  Hydrophilic surface: 73.376
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.