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PUBCHEM-ZINC05651185

 MMsINC code: MMs03337460
Type: Neutral
Formula: C15H27NO2
SMILES:   O1C2(OCC1C1NCCCC1)CCCCC2CC
InChI:   InChI=1/C15H27NO2/c1-2-12-7-3-5-9-15(12)17-11-14(18-15)13-8-4-6-10-16-13/h12-14,16H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1

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Potential Energy
Epot(MMFF94)=40.8602 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.386 g/mol  logS: -2.78984  SlogP: 2.8404  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117733  Sterimol/B1: 2.41019  Sterimol/B2: 3.55266  Sterimol/B3: 3.79473
  Sterimol/B4: 7.66862  Sterimol/L: 14.1087 
 
 Surface and Volume Properties
  Accessible surface: 496.217  Positive charged surface: 410.046  Negative charged surface: 86.1705  Volume: 268.875
  Hydrophobic surface: 452.453  Hydrophilic surface: 43.764
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs03337461
PUBCHEM-ZINC05651185