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ENAMINE-ZINC03388216

 MMsINC code: MMs01412027
Type: Neutral
Formula: C14H18N2O4
SMILES:   O(C(=O)c1ccc(cc1)C)C(C(=O)NC(=O)NCC)C
InChI:   InChI=1/C14H18N2O4/c1-4-15-14(19)16-12(17)10(3)20-13(18)11-7-5-9(2)6-8-11/h5-8,10H,4H2,1-3H3,(H2,15,16,17,19)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=33.766 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.308 g/mol  logS: -3.29605  SlogP: 1.38602  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0279945  Sterimol/B1: 2.54211  Sterimol/B2: 3.30202  Sterimol/B3: 4.16323
  Sterimol/B4: 4.83403  Sterimol/L: 18.9466 
 
 Surface and Volume Properties
  Accessible surface: 550.784  Positive charged surface: 350.794  Negative charged surface: 199.989  Volume: 269.375
  Hydrophobic surface: 380.622  Hydrophilic surface: 170.162
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.