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AURORAFEINCHEMIE-ZINC02509981

 MMsINC code: MMs00453722
Type: Neutral
Formula: C4H11OPS2
SMILES:   S([PH](SCC)=O)CC
InChI:   InChI=1/C4H11OPS2/c1-3-7-6(5)8-4-2/h6H,3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-6.8503 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.237 g/mol  logS: -2.57561  SlogP: 1.8121  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.066558  Sterimol/B1: 2.20844  Sterimol/B2: 2.31586  Sterimol/B3: 3.5544
  Sterimol/B4: 4.02138  Sterimol/L: 11.4656 
 
 Surface and Volume Properties
  Accessible surface: 355.786  Positive charged surface: 192.007  Negative charged surface: 163.78  Volume: 153.25
  Hydrophobic surface: 204.294  Hydrophilic surface: 151.492
 
 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.