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AURORAFEINCHEMIE-ZINC04071637

 MMsINC code: MMs00465429
Type: Neutral
Formula: C20H11NO2
SMILES:   o1nc-2c(c1-c1ccccc1)C(=O)c1c3c-2cccc3ccc1
InChI:   InChI=1/C20H11NO2/c22-19-15-11-5-9-12-8-4-10-14(16(12)15)18-17(19)20(23-21-18)13-6-2-1-3-7-13/h1-11H

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Potential Energy
Epot(MMFF94)=93.8654 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.313 g/mol  logS: -7.12678  SlogP: 4.7062  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0255615  Sterimol/B1: 2.88413  Sterimol/B2: 2.98912  Sterimol/B3: 4.56133
  Sterimol/B4: 5.41489  Sterimol/L: 15.2481 
 
 Surface and Volume Properties
  Accessible surface: 499.918  Positive charged surface: 248.226  Negative charged surface: 241.532  Volume: 278.125
  Hydrophobic surface: 441.434  Hydrophilic surface: 58.484
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.