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NCID-ZINC01580999

 MMsINC code: MMs02238439
Type: Neutral
Formula: C4H10ClO3P
SMILES:   ClCP(OC(C)C)(O)=O
InChI:   InChI=1/C4H10ClO3P/c1-4(2)8-9(6,7)3-5/h4H,3H2,1-2H3,(H,6,7)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-1.42179 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.548 g/mol  logS: -0.3914  SlogP: 0.7229  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.143572  Sterimol/B1: 2.39558  Sterimol/B2: 2.55629  Sterimol/B3: 3.75971
  Sterimol/B4: 4.8019  Sterimol/L: 10.9246 
 
 Surface and Volume Properties
  Accessible surface: 345.034  Positive charged surface: 182.661  Negative charged surface: 162.373  Volume: 141.375
  Hydrophobic surface: 160.884  Hydrophilic surface: 184.15
 
 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.