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NANOSIN-ZINC00190802

 MMsINC code: MMs02190465
Type: Neutral
Formula: C22H15NO2
SMILES:   O1C(=N\C(=C/c2ccccc2)\C1=O)c1ccc(cc1)-c1ccccc1
InChI:   InChI=1/C22H15NO2/c24-22-20(15-16-7-3-1-4-8-16)23-21(25-22)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-15H/b20-15-

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Potential Energy
Epot(MMFF94)=116.427 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.367 g/mol  logS: -7.48339  SlogP: 4.6981  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.000252639  Sterimol/B1: 2.12968  Sterimol/B2: 2.26819  Sterimol/B3: 2.53599
  Sterimol/B4: 8.67713  Sterimol/L: 18.4321 
 
 Surface and Volume Properties
  Accessible surface: 583.055  Positive charged surface: 278.85  Negative charged surface: 293.42  Volume: 320.5
  Hydrophobic surface: 502.977  Hydrophilic surface: 80.078
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.