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NCID-ZINC01690090

 MMsINC code: MMs02322441
Type: Neutral
Formula: C10H22O2S
SMILES:   S(=O)(=O)(CCCCC)CCCCC
InChI:   InChI=1/C10H22O2S/c1-3-5-7-9-13(11,12)10-8-6-4-2/h3-10H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=0.756452 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.35 g/mol  logS: -2.82055  SlogP: 2.7816  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0284872  Sterimol/B1: 2.11326  Sterimol/B2: 3.03531  Sterimol/B3: 3.03624
  Sterimol/B4: 4.00114  Sterimol/L: 17.6193 
 
 Surface and Volume Properties
  Accessible surface: 473.104  Positive charged surface: 341.006  Negative charged surface: 132.098  Volume: 220.125
  Hydrophobic surface: 369.34  Hydrophilic surface: 103.764
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.