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ASINEX-ZINC00587208

 MMsINC code: MMs00140433
Type: Neutral
Formula: C15H18N2O2
SMILES:   O(CC(=O)n1nc(cc1C)C)c1c(cccc1C)C
InChI:   InChI=1/C15H18N2O2/c1-10-6-5-7-11(2)15(10)19-9-14(18)17-13(4)8-12(3)16-17/h5-8H,9H2,1-4H3

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Potential Energy
Epot(MMFF94)=76.703 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.321 g/mol  logS: -2.89468  SlogP: 2.83598  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.175673  Sterimol/B1: 2.21351  Sterimol/B2: 3.6811  Sterimol/B3: 5.55965
  Sterimol/B4: 7.13963  Sterimol/L: 14.5007 
 
 Surface and Volume Properties
  Accessible surface: 519.206  Positive charged surface: 317.164  Negative charged surface: 202.041  Volume: 263.375
  Hydrophobic surface: 473.561  Hydrophilic surface: 45.645
 
 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.