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OTAVA-ZINC01961915

 MMsINC code: MMs02573585
Type: Neutral
Formula: C20H19NO4
SMILES:   O=C1N(C(C)C)C(=O)c2c1cc(cc2)C(OCc1ccc(cc1)C)=O
InChI:   InChI=1/C20H19NO4/c1-12(2)21-18(22)16-9-8-15(10-17(16)19(21)23)20(24)25-11-14-6-4-13(3)5-7-14/h4-10,12H,11H2,1-3H3

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Potential Energy
Epot(MMFF94)=59.9857 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.375 g/mol  logS: -5.2127  SlogP: 3.62282  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0369812  Sterimol/B1: 2.25814  Sterimol/B2: 3.62371  Sterimol/B3: 3.62459
  Sterimol/B4: 6.24347  Sterimol/L: 19.7879 
 
 Surface and Volume Properties
  Accessible surface: 623.477  Positive charged surface: 358.364  Negative charged surface: 265.112  Volume: 323.375
  Hydrophobic surface: 470.676  Hydrophilic surface: 152.801
 
 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.