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CHEMBRIDGE-ZINC04949997

 MMsINC code: MMs00813511
Type: Neutral
Formula: C2H7O3PS
SMILES:   S=P(OC)(OC)O
InChI:   InChI=1/C2H7O3PS/c1-4-6(3,7)5-2/h1-2H3,(H,3,7)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-27.909 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 142.115 g/mol  logS: -0.77404  SlogP: 0.496  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0988033  Sterimol/B1: 2.33934  Sterimol/B2: 3.1164  Sterimol/B3: 3.90536
  Sterimol/B4: 4.12444  Sterimol/L: 9.65304 
 
 Surface and Volume Properties
  Accessible surface: 294.624  Positive charged surface: 199.996  Negative charged surface: 94.6276  Volume: 111
  Hydrophobic surface: 168.704  Hydrophilic surface: 125.92
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.