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CHEMDIV-ZINC03202593

 MMsINC code: MMs00910266
Type: Neutral
Formula: C24H15NO3
SMILES:   Oc1ccc(N2C(=O)c3c(cc4c(cccc4)c3-c3ccccc3)C2=O)cc1
InChI:   InChI=1/C24H15NO3/c26-18-12-10-17(11-13-18)25-23(27)20-14-16-8-4-5-9-19(16)21(22(20)24(25)28)15-6-2-1-3-7-15/h1-14,26H

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Potential Energy
Epot(MMFF94)=111.859 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.388 g/mol  logS: -7.7009  SlogP: 5.013  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0328132  Sterimol/B1: 2.54169  Sterimol/B2: 3.3877  Sterimol/B3: 3.40931
  Sterimol/B4: 10.0093  Sterimol/L: 16.7107 
 
 Surface and Volume Properties
  Accessible surface: 592.615  Positive charged surface: 314.974  Negative charged surface: 266.01  Volume: 339.75
  Hydrophobic surface: 488.584  Hydrophilic surface: 104.031
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.