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NCID-ZINC01736529

 MMsINC code: MMs02357972
Type: Neutral
Formula: C6H15NOS
SMILES:   S(CCN(C)C)CCO
InChI:   InChI=1/C6H15NOS/c1-7(2)3-5-9-6-4-8/h8H,3-6H2,1-2H3

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Potential Energy
Epot(MMFF94)=28.4573 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 149.258 g/mol  logS: -0.27777  SlogP: 0.2735  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0451429  Sterimol/B1: 2.05895  Sterimol/B2: 2.67644  Sterimol/B3: 3.01884
  Sterimol/B4: 4.61997  Sterimol/L: 13.4236 
 
 Surface and Volume Properties
  Accessible surface: 372.28  Positive charged surface: 316.532  Negative charged surface: 55.7486  Volume: 159.75
  Hydrophobic surface: 283.544  Hydrophilic surface: 88.736
 
 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


MMs02357973
NCID-ZINC01736529