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PUBCHEM-ZINC06253338

 MMsINC code: MMs03640320
Type: Neutral
Formula: C17H30N2O2
SMILES:   O=C(N1CCCCC1C)CCCC(=O)N1CCCCC1C
InChI:   InChI=1/C17H30N2O2/c1-14-8-3-5-12-18(14)16(20)10-7-11-17(21)19-13-6-4-9-15(19)2/h14-15H,3-13H2,1-2H3/t14-,15-/m0/s1

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Potential Energy
Epot(MMFF94)=72.8557 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.439 g/mol  logS: -1.85203  SlogP: 2.9587  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0331807  Sterimol/B1: 2.07999  Sterimol/B2: 2.92531  Sterimol/B3: 3.31213
  Sterimol/B4: 6.79021  Sterimol/L: 16.6716 
 
 Surface and Volume Properties
  Accessible surface: 568.734  Positive charged surface: 464.915  Negative charged surface: 103.82  Volume: 314.375
  Hydrophobic surface: 497.361  Hydrophilic surface: 71.373
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.