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OTAVA-ZINC01982670

 MMsINC code: MMs02577215
Type: Neutral
Formula: C23H17NO4
SMILES:   O=C1N(Cc2ccccc2)C(=O)c2c1cc(cc2)C(OCc1ccccc1)=O
InChI:   InChI=1/C23H17NO4/c25-21-19-12-11-18(23(27)28-15-17-9-5-2-6-10-17)13-20(19)22(26)24(21)14-16-7-3-1-4-8-16/h1-13H,14-15H2

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Potential Energy
Epot(MMFF94)=67.9451 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.392 g/mol  logS: -5.85226  SlogP: 4.3726  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0626604  Sterimol/B1: 2.34286  Sterimol/B2: 3.3712  Sterimol/B3: 5.21166
  Sterimol/B4: 5.78107  Sterimol/L: 19.4232 
 
 Surface and Volume Properties
  Accessible surface: 650.023  Positive charged surface: 354.458  Negative charged surface: 295.565  Volume: 350.75
  Hydrophobic surface: 531.346  Hydrophilic surface: 118.677
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.