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AURORAFEINCHEMIE-ZINC00344129

 MMsINC code: MMs00446636
Type: Neutral
Formula: C15H15NO3
SMILES:   OC=1c2c3N(C(=O)C=1C(=O)C)C(CCc3ccc2)C
InChI:   InChI=1/C15H15NO3/c1-8-6-7-10-4-3-5-11-13(10)16(8)15(19)12(9(2)17)14(11)18/h3-5,8,18H,6-7H2,1-2H3/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=70.9744 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.289 g/mol  logS: -2.84443  SlogP: 2.22597  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0461241  Sterimol/B1: 2.40358  Sterimol/B2: 2.61833  Sterimol/B3: 3.17315
  Sterimol/B4: 8.387  Sterimol/L: 12.2481 
 
 Surface and Volume Properties
  Accessible surface: 434.227  Positive charged surface: 289.176  Negative charged surface: 145.052  Volume: 238.25
  Hydrophobic surface: 344.604  Hydrophilic surface: 89.623
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.