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PUBCHEM-ZINC05862784

 MMsINC code: MMs03422586
Type: Neutral
Formula: C4H11O2PS
SMILES:   S=P(OCC)(OC)C
InChI:   InChI=1/C4H11O2PS/c1-4-6-7(3,8)5-2/h4H2,1-3H3/t7-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=5.97859 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.17 g/mol  logS: -1.19187  SlogP: 1.6086  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110905  Sterimol/B1: 2.53507  Sterimol/B2: 2.75753  Sterimol/B3: 4.2768
  Sterimol/B4: 4.94619  Sterimol/L: 10.7615 
 
 Surface and Volume Properties
  Accessible surface: 339.22  Positive charged surface: 224.024  Negative charged surface: 115.196  Volume: 143.375
  Hydrophobic surface: 221.642  Hydrophilic surface: 117.578
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.