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PUBCHEM-ZINC05460907

 MMsINC code: MMs03276496
Type: Neutral
Formula: C15H29NO
SMILES:   O=C(NC1CCCCCCC1)CCCCCC
InChI:   InChI=1/C15H29NO/c1-2-3-4-10-13-15(17)16-14-11-8-6-5-7-9-12-14/h14H,2-13H2,1H3,(H,16,17)

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Potential Energy
Epot(MMFF94)=66.8731 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.403 g/mol  logS: -4.5347  SlogP: 4.1859  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0584916  Sterimol/B1: 3.4152  Sterimol/B2: 3.73636  Sterimol/B3: 4.11418
  Sterimol/B4: 4.74169  Sterimol/L: 17.0707 
 
 Surface and Volume Properties
  Accessible surface: 528.837  Positive charged surface: 418.953  Negative charged surface: 109.884  Volume: 274.875
  Hydrophobic surface: 469.526  Hydrophilic surface: 59.311
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.