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ENAMINE-ZINC03423832

 MMsINC code: MMs01433390
Type: Neutral
Formula: C15H20N2O4
SMILES:   O(C(=O)c1ccc(cc1C)C)CC(=O)NC(=O)NC(C)C
InChI:   InChI=1/C15H20N2O4/c1-9(2)16-15(20)17-13(18)8-21-14(19)12-6-5-10(3)7-11(12)4/h5-7,9H,8H2,1-4H3,(H2,16,17,18,20)

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Potential Energy
Epot(MMFF94)=48.4412 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.335 g/mol  logS: -3.76997  SlogP: 1.69444  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.016819  Sterimol/B1: 2.53483  Sterimol/B2: 3.09627  Sterimol/B3: 3.42626
  Sterimol/B4: 6.27364  Sterimol/L: 19.0828 
 
 Surface and Volume Properties
  Accessible surface: 573.56  Positive charged surface: 379.758  Negative charged surface: 193.802  Volume: 283.25
  Hydrophobic surface: 406.026  Hydrophilic surface: 167.534
 
 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.