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PUBCHEM-ZINC05820589

 MMsINC code: MMs03399556
Type: Neutral
Formula: C19H37NO2
SMILES:   OC(=O)CCCCCCC1C(CCCC1N)CCCCCC
InChI:   InChI=1/C19H37NO2/c1-2-3-4-7-11-16-12-10-14-18(20)17(16)13-8-5-6-9-15-19(21)22/h16-18H,2-15,20H2,1H3,(H,21,22)/t16-,17+,18-/m0/s1

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Potential Energy
Epot(MMFF94)=21.9756 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.51 g/mol  logS: -5.54588  SlogP: 5.1256  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0388423  Sterimol/B1: 2.44073  Sterimol/B2: 3.30804  Sterimol/B3: 3.34726
  Sterimol/B4: 9.79633  Sterimol/L: 20.179 
 
 Surface and Volume Properties
  Accessible surface: 663.789  Positive charged surface: 527.381  Negative charged surface: 136.408  Volume: 352.5
  Hydrophobic surface: 498.415  Hydrophilic surface: 165.374
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.