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AURORAFEINCHEMIE-ZINC03957019

 MMsINC code: MMs00458736
Type: Neutral
Formula: C2H7O2PS
SMILES:   S=P(OC)(O)C
InChI:   InChI=1/C2H7O2PS/c1-4-5(2,3)6/h1-2H3,(H,3,6)/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=-2.75172 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 126.116 g/mol  logS: -0.51948  SlogP: 0.5644  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.205623  Sterimol/B1: 2.47451  Sterimol/B2: 3.32353  Sterimol/B3: 3.43452
  Sterimol/B4: 4.31148  Sterimol/L: 8.29716 
 
 Surface and Volume Properties
  Accessible surface: 275.386  Positive charged surface: 158.487  Negative charged surface: 116.899  Volume: 104.625
  Hydrophobic surface: 131.267  Hydrophilic surface: 144.119
 
 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.