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PUBCHEM-ZINC05384111

 MMsINC code: MMs03253966
Type: Neutral
Formula: C14H18N2O3
SMILES:   O(C(=O)c1ccc(cc1)\C=N\NC(=O)CC(C)C)C
InChI:   InChI=1/C14H18N2O3/c1-10(2)8-13(17)16-15-9-11-4-6-12(7-5-11)14(18)19-3/h4-7,9-10H,8H2,1-3H3,(H,16,17)/b15-9+

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Potential Energy
Epot(MMFF94)=73.8666 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.309 g/mol  logS: -3.39155  SlogP: 1.9694  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0147818  Sterimol/B1: 2.34716  Sterimol/B2: 3.71153  Sterimol/B3: 4.05059
  Sterimol/B4: 4.83182  Sterimol/L: 18.3716 
 
 Surface and Volume Properties
  Accessible surface: 538.514  Positive charged surface: 381.074  Negative charged surface: 157.44  Volume: 262.25
  Hydrophobic surface: 385.735  Hydrophilic surface: 152.779
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.