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PUBCHEM-ZINC06824189

 MMsINC code: MMs03868656
Type: Neutral
Formula: C13H24N2O4
SMILES:   OC(CNC(=O)C(CC=C)CC(=O)NC(CO)C)C
InChI:   InChI=1/C13H24N2O4/c1-4-5-11(13(19)14-7-10(3)17)6-12(18)15-9(2)8-16/h4,9-11,16-17H,1,5-8H2,2-3H3,(H,14,19)(H,15,18)/t9-,10+,11+/m0/s1

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Potential Energy
Epot(MMFF94)=33.0076 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.345 g/mol  logS: -0.82847  SlogP: -0.4372  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0722064  Sterimol/B1: 2.92066  Sterimol/B2: 3.58146  Sterimol/B3: 3.71229
  Sterimol/B4: 8.03037  Sterimol/L: 16.0615 
 
 Surface and Volume Properties
  Accessible surface: 564.593  Positive charged surface: 408.776  Negative charged surface: 155.816  Volume: 276.25
  Hydrophobic surface: 325.154  Hydrophilic surface: 239.439
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.