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PUBCHEM-ZINC06794695

 MMsINC code: MMs03862403
Type: Neutral
Formula: C15H26N2O4
SMILES:   OCC1N(CCC1)C(=O)CC(CC=C)C(=O)NC(CO)C
InChI:   InChI=1/C15H26N2O4/c1-3-5-12(15(21)16-11(2)9-18)8-14(20)17-7-4-6-13(17)10-19/h3,11-13,18-19H,1,4-10H2,2H3,(H,16,21)/t11-,12-,13+/m0/s1

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Potential Energy
Epot(MMFF94)=47.4245 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.383 g/mol  logS: -0.94765  SlogP: 0.0491  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137211  Sterimol/B1: 2.37733  Sterimol/B2: 2.8453  Sterimol/B3: 5.82977
  Sterimol/B4: 8.32693  Sterimol/L: 14.7273 
 
 Surface and Volume Properties
  Accessible surface: 582.14  Positive charged surface: 440.805  Negative charged surface: 141.334  Volume: 302
  Hydrophobic surface: 386.537  Hydrophilic surface: 195.603
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.