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ENAMINE-ZINC03387205

 MMsINC code: MMs01411393
Type: Neutral
Formula: C14H18N2O4
SMILES:   O(C(=O)c1ccc(cc1)C(C)C)CC(=O)NC(=O)NC
InChI:   InChI=1/C14H18N2O4/c1-9(2)10-4-6-11(7-5-10)13(18)20-8-12(17)16-14(19)15-3/h4-7,9H,8H2,1-3H3,(H2,15,16,17,19)

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Potential Energy
Epot(MMFF94)=37.8587 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.308 g/mol  logS: -3.67207  SlogP: 1.4224  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0234988  Sterimol/B1: 2.33258  Sterimol/B2: 2.3745  Sterimol/B3: 4.87474
  Sterimol/B4: 5.73592  Sterimol/L: 18.558 
 
 Surface and Volume Properties
  Accessible surface: 544.036  Positive charged surface: 375.072  Negative charged surface: 168.964  Volume: 268.25
  Hydrophobic surface: 356.3  Hydrophilic surface: 187.736
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.