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ASINEX-ZINC04712914

 MMsINC code: MMs00362369
Type: Neutral
Formula: C24H15NO2
SMILES:   O1C(=N\C(=C\c2cc3c(cc2)cccc3)\C1=O)c1c2c(ccc1)cccc2
InChI:   InChI=1/C24H15NO2/c26-24-22(15-16-12-13-17-6-1-2-8-19(17)14-16)25-23(27-24)21-11-5-9-18-7-3-4-10-20(18)21/h1-15H/b22-15+

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Potential Energy
Epot(MMFF94)=128.026 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.389 g/mol  logS: -8.81277  SlogP: 5.3375  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0205783  Sterimol/B1: 2.7445  Sterimol/B2: 3.2136  Sterimol/B3: 4.26372
  Sterimol/B4: 5.56235  Sterimol/L: 18.5997 
 
 Surface and Volume Properties
  Accessible surface: 598.064  Positive charged surface: 302.154  Negative charged surface: 274.432  Volume: 336.125
  Hydrophobic surface: 541.507  Hydrophilic surface: 56.557
 
 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.