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ENAMINE-ZINC03443390

 MMsINC code: MMs01445664
Type: Neutral
Formula: C14H18N2O4
SMILES:   O(C(=O)c1cc(C)c(cc1)C)CC(=O)NC(=O)NCC
InChI:   InChI=1/C14H18N2O4/c1-4-15-14(19)16-12(17)8-20-13(18)11-6-5-9(2)10(3)7-11/h5-7H,4,8H2,1-3H3,(H2,15,16,17,19)

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Potential Energy
Epot(MMFF94)=40.8922 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.308 g/mol  logS: -3.44276  SlogP: 1.30594  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00750226  Sterimol/B1: 2.37726  Sterimol/B2: 2.51261  Sterimol/B3: 4.07397
  Sterimol/B4: 4.14299  Sterimol/L: 19.189 
 
 Surface and Volume Properties
  Accessible surface: 554.773  Positive charged surface: 359.888  Negative charged surface: 194.885  Volume: 267.625
  Hydrophobic surface: 385.926  Hydrophilic surface: 168.847
 
 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.