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AURORAFEINCHEMIE-ZINC06665870

 MMsINC code: MMs00478170
Type: Neutral
Formula: C18H15NO3
SMILES:   OC1(Cc2ccccc2)C(=O)c2c3N(CCc3ccc2)C1=O
InChI:   InChI=1/C18H15NO3/c20-16-14-8-4-7-13-9-10-19(15(13)14)17(21)18(16,22)11-12-5-2-1-3-6-12/h1-8,22H,9-11H2/t18-/m0/s1

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Potential Energy
Epot(MMFF94)=91.3914 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.322 g/mol  logS: -3.74543  SlogP: 1.74574  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0840359  Sterimol/B1: 2.81001  Sterimol/B2: 4.03627  Sterimol/B3: 4.43317
  Sterimol/B4: 5.93497  Sterimol/L: 13.6782 
 
 Surface and Volume Properties
  Accessible surface: 487.404  Positive charged surface: 288.382  Negative charged surface: 199.022  Volume: 274.5
  Hydrophobic surface: 400.365  Hydrophilic surface: 87.039
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.