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ENAMINE-ZINC03388217

 MMsINC code: MMs01412028
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-/m0/s1

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Potential Energy
Epot(MMFF94)=33.7756 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: 0.0279558  Sterimol/B1: 2.54122  Sterimol/B2: 3.16221  Sterimol/B3: 4.16314
  Sterimol/B4: 4.83533  Sterimol/L: 19.1301 
 
 Surface and Volume Properties
  Accessible surface: 555.065  Positive charged surface: 350.278  Negative charged surface: 204.787  Volume: 266.875
  Hydrophobic surface: 383.583  Hydrophilic surface: 171.482
 
 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.