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CHEMBRIDGE-ZINC04981633

 MMsINC code: MMs00818707
Type: Neutral
Formula: C24H15NO3
SMILES:   Oc1c2c(C(=O)c3c(cccc3)C2=O)c(Nc2ccccc2)c2c1cccc2
InChI:   InChI=1/C24H15NO3/c26-22-17-12-6-7-13-18(17)24(28)20-19(22)21(25-14-8-2-1-3-9-14)15-10-4-5-11-16(15)23(20)27/h1-13,25,27H

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Potential Energy
Epot(MMFF94)=136.773 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.388 g/mol  logS: -7.02125  SlogP: 5.0644  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111314  Sterimol/B1: 2.56329  Sterimol/B2: 2.97381  Sterimol/B3: 4.99224
  Sterimol/B4: 9.97732  Sterimol/L: 14.5265 
 
 Surface and Volume Properties
  Accessible surface: 587.78  Positive charged surface: 321.499  Negative charged surface: 257.834  Volume: 341.5
  Hydrophobic surface: 485.055  Hydrophilic surface: 102.725
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.