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PUBCHEM-ZINC00348086

 MMsINC code: MMs02660805
Type: Neutral
Formula: C14H16N2O2
SMILES:   O(C(=O)c1nc(n(C)c1C)-c1ccccc1)CC
InChI:   InChI=1/C14H16N2O2/c1-4-18-14(17)12-10(2)16(3)13(15-12)11-8-6-5-7-9-11/h5-9H,4H2,1-3H3

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Potential Energy
Epot(MMFF94)=65.5777 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.294 g/mol  logS: -3.74402  SlogP: 2.93142  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0222511  Sterimol/B1: 2.39231  Sterimol/B2: 2.59181  Sterimol/B3: 3.12904
  Sterimol/B4: 7.51486  Sterimol/L: 14.6685 
 
 Surface and Volume Properties
  Accessible surface: 495.899  Positive charged surface: 332.103  Negative charged surface: 163.795  Volume: 244
  Hydrophobic surface: 419.896  Hydrophilic surface: 76.003
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.