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PUBCHEM-ZINC05480352

 MMsINC code: MMs03281326
Type: Neutral
Formula: C17H35NO
SMILES:   OCCCCCCCCCCCCCN1CCCC1
InChI:   InChI=1/C17H35NO/c19-17-13-9-7-5-3-1-2-4-6-8-10-14-18-15-11-12-16-18/h19H,1-17H2

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Potential Energy
Epot(MMFF94)=8.96919 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.473 g/mol  logS: -4.25189  SlogP: 4.3656  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0148914  Sterimol/B1: 2.25314  Sterimol/B2: 2.7207  Sterimol/B3: 3.23108
  Sterimol/B4: 4.59518  Sterimol/L: 24.1097 
 
 Surface and Volume Properties
  Accessible surface: 647.315  Positive charged surface: 566.382  Negative charged surface: 80.9321  Volume: 321.5
  Hydrophobic surface: 589.292  Hydrophilic surface: 58.023
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs03281327
PUBCHEM-ZINC05480352