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PUBCHEM-ZINC04588680

 MMsINC code: MMs03138196
Type: Neutral
Formula: C15H24N2O2
SMILES:   O=C(NCCC=1CCCCC=1)CCC(=O)NCC=C
InChI:   InChI=1/C15H24N2O2/c1-2-11-16-14(18)8-9-15(19)17-12-10-13-6-4-3-5-7-13/h2,6H,1,3-5,7-12H2,(H,16,18)(H,17,19)

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Potential Energy
Epot(MMFF94)=5.95255 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.369 g/mol  logS: -2.1631  SlogP: 2.0755  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.031619  Sterimol/B1: 2.75685  Sterimol/B2: 3.38521  Sterimol/B3: 3.75529
  Sterimol/B4: 4.38356  Sterimol/L: 20.4253 
 
 Surface and Volume Properties
  Accessible surface: 580.875  Positive charged surface: 424.415  Negative charged surface: 156.46  Volume: 281.375
  Hydrophobic surface: 410.838  Hydrophilic surface: 170.037
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.