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NCID-ZINC01682375

 MMsINC code: MMs02316146
Type: Neutral
Formula: C13H29NO
SMILES:   OCCCCCN(CCCC)CCCC
InChI:   InChI=1/C13H29NO/c1-3-5-10-14(11-6-4-2)12-8-7-9-13-15/h15H,3-13H2,1-2H3

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Potential Energy
Epot(MMFF94)=12.2384 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.381 g/mol  logS: -1.9796  SlogP: 3.0512  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.06555  Sterimol/B1: 2.18713  Sterimol/B2: 2.56098  Sterimol/B3: 3.70697
  Sterimol/B4: 10.8046  Sterimol/L: 14.9615 
 
 Surface and Volume Properties
  Accessible surface: 543.422  Positive charged surface: 446.743  Negative charged surface: 96.6796  Volume: 262.125
  Hydrophobic surface: 441.971  Hydrophilic surface: 101.451
 
 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


MMs02316147
NCID-ZINC01682375