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IBS-ZINC04364982

 MMsINC code: MMs01885593
Type: Neutral
Formula: C6H13NO2S
SMILES:   S1(=O)(=O)CC(N(C)C)CC1
InChI:   InChI=1/C6H13NO2S/c1-7(2)6-3-4-10(8,9)5-6/h6H,3-5H2,1-2H3/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=30.7724 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 163.241 g/mol  logS: 0.04979  SlogP: -0.2649  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.262368  Sterimol/B1: 2.50649  Sterimol/B2: 3.14691  Sterimol/B3: 4.18919
  Sterimol/B4: 4.27104  Sterimol/L: 9.36275 
 
 Surface and Volume Properties
  Accessible surface: 329.777  Positive charged surface: 231.102  Negative charged surface: 98.6744  Volume: 148.625
  Hydrophobic surface: 248.706  Hydrophilic surface: 81.071
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs01885594
IBS-ZINC04364982