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CHEMBRIDGE-ZINC03105924

 MMsINC code: MMs00752298
Type: Neutral
Formula: C3H8ClO3P
SMILES:   ClCP(OCC)(O)=O
InChI:   InChI=1/C3H8ClO3P/c1-2-7-8(5,6)3-4/h2-3H2,1H3,(H,5,6)

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Potential Energy
Epot(MMFF94)=-4.50274 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 158.521 g/mol  logS: -0.06419  SlogP: 0.3344  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.134829  Sterimol/B1: 2.57204  Sterimol/B2: 2.80105  Sterimol/B3: 3.89763
  Sterimol/B4: 4.00972  Sterimol/L: 11.2284 
 
 Surface and Volume Properties
  Accessible surface: 327.553  Positive charged surface: 179.252  Negative charged surface: 148.301  Volume: 124.5
  Hydrophobic surface: 151.766  Hydrophilic surface: 175.787
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.