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PUBCHEM-ZINC06692286

 MMsINC code: MMs03839922
Type: Neutral
Formula: C15H26N2O4
SMILES:   OCC1(NC(=O)CC(CC=C)C(=O)NCCO)CCCC1
InChI:   InChI=1/C15H26N2O4/c1-2-5-12(14(21)16-8-9-18)10-13(20)17-15(11-19)6-3-4-7-15/h2,12,18-19H,1,3-11H2,(H,16,21)(H,17,20)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=49.4642 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.383 g/mol  logS: -1.12997  SlogP: 0.0986  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10705  Sterimol/B1: 2.50887  Sterimol/B2: 3.7335  Sterimol/B3: 3.8797
  Sterimol/B4: 9.20529  Sterimol/L: 14.3693 
 
 Surface and Volume Properties
  Accessible surface: 584.817  Positive charged surface: 441.685  Negative charged surface: 143.132  Volume: 300.125
  Hydrophobic surface: 392.112  Hydrophilic surface: 192.705
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.