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NCID-ZINC01575953

 MMsINC code: MMs02234565
Type: Neutral
Formula: C4H11O2PS
SMILES:   S=P(OC(C)C)(O)C
InChI:   InChI=1/C4H11O2PS/c1-4(2)6-7(3,5)8/h4H,1-3H3,(H,5,8)/t7-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-1.54602 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.17 g/mol  logS: -1.1739  SlogP: 1.343  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.189868  Sterimol/B1: 2.93798  Sterimol/B2: 3.39767  Sterimol/B3: 3.56634
  Sterimol/B4: 4.59835  Sterimol/L: 9.13045 
 
 Surface and Volume Properties
  Accessible surface: 327.46  Positive charged surface: 176.105  Negative charged surface: 151.355  Volume: 139.75
  Hydrophobic surface: 148.356  Hydrophilic surface: 179.104
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: no related molecules available.