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ENAMINE-ZINC03442750

 MMsINC code: MMs01445216
Type: Neutral
Formula: C14H18N2O4
SMILES:   O(C(=O)c1cc(ccc1)C)CC(=O)NC(=O)NC(C)C
InChI:   InChI=1/C14H18N2O4/c1-9(2)15-14(19)16-12(17)8-20-13(18)11-6-4-5-10(3)7-11/h4-7,9H,8H2,1-3H3,(H2,15,16,17,19)

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Potential Energy
Epot(MMFF94)=34.7221 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: 0.0167928  Sterimol/B1: 3.08155  Sterimol/B2: 3.15357  Sterimol/B3: 3.37364
  Sterimol/B4: 5.28376  Sterimol/L: 19.0948 
 
 Surface and Volume Properties
  Accessible surface: 559.208  Positive charged surface: 354.818  Negative charged surface: 204.389  Volume: 269.625
  Hydrophobic surface: 377.893  Hydrophilic surface: 181.315
 
 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.