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PUBCHEM-ZINC01002723

 MMsINC code: MMs02754309
Type: Neutral
Formula: C17H31NO
SMILES:   O=C(NC1CCCCCCCCCCC1)C1CC1C
InChI:   InChI=1/C17H31NO/c1-14-13-16(14)17(19)18-15-11-9-7-5-3-2-4-6-8-10-12-15/h14-16H,2-13H2,1H3,(H,18,19)/t14-,16-/m1/s1

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Potential Energy
Epot(MMFF94)=84.6512 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.441 g/mol  logS: -5.14965  SlogP: 4.4319  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0933959  Sterimol/B1: 2.17058  Sterimol/B2: 4.59066  Sterimol/B3: 4.68562
  Sterimol/B4: 5.3984  Sterimol/L: 15.3969 
 
 Surface and Volume Properties
  Accessible surface: 540.071  Positive charged surface: 397.163  Negative charged surface: 142.908  Volume: 303.875
  Hydrophobic surface: 485.908  Hydrophilic surface: 54.163
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.