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NCID-ZINC01869978

 MMsINC code: MMs02375967
Type: Neutral
Formula: C7H15NOS3
SMILES:   S(C(SC)(SC)C(=O)N(C)C)C
InChI:   InChI=1/C7H15NOS3/c1-8(2)6(9)7(10-3,11-4)12-5/h1-5H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.3733 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.401 g/mol  logS: -2.74468  SlogP: 1.8174  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.278414  Sterimol/B1: 3.27164  Sterimol/B2: 3.71852  Sterimol/B3: 4.51396
  Sterimol/B4: 5.46622  Sterimol/L: 10.1916 
 
 Surface and Volume Properties
  Accessible surface: 397.824  Positive charged surface: 249.534  Negative charged surface: 148.29  Volume: 204.5
  Hydrophobic surface: 313.422  Hydrophilic surface: 84.402
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.