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NCID-ZINC01569642

 MMsINC code: MMs02230238
Type: Neutral
Formula: C13H27NO3S2
SMILES:   S(S(O)(=O)=O)CCNCCCCC1CCC(CC1)C
InChI:   InChI=1/C13H27NO3S2/c1-12-5-7-13(8-6-12)4-2-3-9-14-10-11-18-19(15,16)17/h12-14H,2-11H2,1H3,(H,15,16,17)/t12-,13-

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Potential Energy
Epot(MMFF94)=0.360165 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.495 g/mol  logS: -5.03053  SlogP: 2.5429  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0443394  Sterimol/B1: 2.8039  Sterimol/B2: 3.54959  Sterimol/B3: 3.83836
  Sterimol/B4: 4.76805  Sterimol/L: 19.3807 
 
 Surface and Volume Properties
  Accessible surface: 588.678  Positive charged surface: 406.687  Negative charged surface: 181.991  Volume: 296
  Hydrophobic surface: 388.841  Hydrophilic surface: 199.837
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.