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NCID-ZINC01694642

 MMsINC code: MMs02325809
Type: Neutral
Formula: C7H16ClO3P
SMILES:   ClCP(OC(C)C)(OC(C)C)=O
InChI:   InChI=1/C7H16ClO3P/c1-6(2)10-12(9,5-8)11-7(3)4/h6-7H,5H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=13.0379 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.629 g/mol  logS: -1.391  SlogP: 2.1556  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.163257  Sterimol/B1: 2.08468  Sterimol/B2: 3.049  Sterimol/B3: 4.4868
  Sterimol/B4: 6.75943  Sterimol/L: 11.509 
 
 Surface and Volume Properties
  Accessible surface: 426.707  Positive charged surface: 258.977  Negative charged surface: 167.731  Volume: 197.625
  Hydrophobic surface: 258.407  Hydrophilic surface: 168.3
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.