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IBS-ZINC01737318

 MMsINC code: MMs01771921
Type: Neutral
Formula: C8H19O2PS2
SMILES:   SP(=S)(OCCCC)OCCCC
InChI:   InChI=1/C8H19O2PS2/c1-3-5-7-9-11(12,13)10-8-6-4-2/h3-8H2,1-2H3,(H,12,13)

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Potential Energy
Epot(MMFF94)=-5.01623 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.344 g/mol  logS: -4.05344  SlogP: 3.7741  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0407618  Sterimol/B1: 2.42093  Sterimol/B2: 3.27855  Sterimol/B3: 4.67283
  Sterimol/B4: 5.88577  Sterimol/L: 17.1156 
 
 Surface and Volume Properties
  Accessible surface: 505.189  Positive charged surface: 323.124  Negative charged surface: 182.065  Volume: 232.5
  Hydrophobic surface: 342.823  Hydrophilic surface: 162.366
 
 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.