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PUBCHEM-ZINC05599837

 MMsINC code: MMs03319900
Type: Neutral
Formula: C17H33NO2
SMILES:   OC1CCCCCCCN(CCCCCCCC1=O)C
InChI:   InChI=1/C17H33NO2/c1-18-14-10-6-2-4-8-12-16(19)17(20)13-9-5-3-7-11-15-18/h16,19H,2-15H2,1H3/t16-/m0/s1

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Potential Energy
Epot(MMFF94)=80.1588 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.456 g/mol  logS: -3.12127  SlogP: 3.543  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115544  Sterimol/B1: 2.35485  Sterimol/B2: 3.90606  Sterimol/B3: 5.85687
  Sterimol/B4: 6.23144  Sterimol/L: 13.3259 
 
 Surface and Volume Properties
  Accessible surface: 531.276  Positive charged surface: 430.934  Negative charged surface: 100.342  Volume: 316.375
  Hydrophobic surface: 457.415  Hydrophilic surface: 73.861
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03319901
PUBCHEM-ZINC05599837