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ASINEX-ZINC03635748

 MMsINC code: MMs00289256
Type: Neutral
Formula: C14H16N2O2
SMILES:   O(C(=O)c1n(cnc1)C(C)c1ccccc1)CC
InChI:   InChI=1/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=49.5409 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.294 g/mol  logS: -2.84008  SlogP: 2.7646  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.193575  Sterimol/B1: 2.86211  Sterimol/B2: 3.6835  Sterimol/B3: 3.87865
  Sterimol/B4: 7.35316  Sterimol/L: 12.2946 
 
 Surface and Volume Properties
  Accessible surface: 470.934  Positive charged surface: 302.434  Negative charged surface: 168.499  Volume: 245.625
  Hydrophobic surface: 369.545  Hydrophilic surface: 101.389
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.