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NCID-ZINC01605058

 MMsINC code: MMs02257353
Type: Neutral
Formula: C10H21NO3S2
SMILES:   S(=O)(=O)(CCSCCN1CCOCC1)CC
InChI:   InChI=1/C10H21NO3S2/c1-2-16(12,13)10-9-15-8-5-11-3-6-14-7-4-11/h2-10H2,1H3

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Potential Energy
Epot(MMFF94)=41.0139 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.414 g/mol  logS: -1.21017  SlogP: 0.4865  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0295029  Sterimol/B1: 3.24868  Sterimol/B2: 3.39841  Sterimol/B3: 3.71437
  Sterimol/B4: 3.92594  Sterimol/L: 17.8592 
 
 Surface and Volume Properties
  Accessible surface: 514.012  Positive charged surface: 378.228  Negative charged surface: 135.784  Volume: 250.75
  Hydrophobic surface: 386.083  Hydrophilic surface: 127.929
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs02257354
NCID-ZINC01605058