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PUBCHEM-ZINC04894365

 MMsINC code: MMs03182249
Type: Neutral
Formula: C11H19NO2S
SMILES:   S(=O)(=O)(NC12CC3CC(C1)CC(C2)C3)C
InChI:   InChI=1/C11H19NO2S/c1-15(13,14)12-11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10,12H,2-7H2,1H3/t8-,9+,10-,11-

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Potential Energy
Epot(MMFF94)=37.5819 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.344 g/mol  logS: -2.22548  SlogP: 1.5044  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.328589  Sterimol/B1: 3.20586  Sterimol/B2: 3.66937  Sterimol/B3: 3.94504
  Sterimol/B4: 4.66198  Sterimol/L: 10.7994 
 
 Surface and Volume Properties
  Accessible surface: 393.823  Positive charged surface: 275.099  Negative charged surface: 118.723  Volume: 210.25
  Hydrophobic surface: 312.753  Hydrophilic surface: 81.07
 
 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: no related molecules available.