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PUBCHEM-ZINC03616077

 MMsINC code: MMs03023102
Type: Neutral
Formula: C4H10ClO3P
SMILES:   ClCCP(OCC)(O)=O
InChI:   InChI=1/C4H10ClO3P/c1-2-8-9(6,7)4-3-5/h2-4H2,1H3,(H,6,7)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-24.1634 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.548 g/mol  logS: -0.35869  SlogP: 0.3769  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.100722  Sterimol/B1: 2.64008  Sterimol/B2: 2.64191  Sterimol/B3: 3.77547
  Sterimol/B4: 4.20266  Sterimol/L: 12.3236 
 
 Surface and Volume Properties
  Accessible surface: 356.563  Positive charged surface: 202.054  Negative charged surface: 154.508  Volume: 141.625
  Hydrophobic surface: 180.152  Hydrophilic surface: 176.411
 
 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.