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NCID-ZINC01597517

 MMsINC code: MMs02251376
Type: Neutral
Formula: C8H16Cl3O4P
SMILES:   ClC(Cl)(Cl)C(P(OCCC)(OCCC)=O)O
InChI:   InChI=1/C8H16Cl3O4P/c1-3-5-14-16(13,15-6-4-2)7(12)8(9,10)11/h7,12H,3-6H2,1-2H3/t7-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.1174 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 313.545 g/mol  logS: -2.75529  SlogP: 3.071  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158337  Sterimol/B1: 2.20416  Sterimol/B2: 3.94983  Sterimol/B3: 4.25485
  Sterimol/B4: 9.95514  Sterimol/L: 11.8432 
 
 Surface and Volume Properties
  Accessible surface: 493.335  Positive charged surface: 255.455  Negative charged surface: 237.879  Volume: 252.25
  Hydrophobic surface: 245.809  Hydrophilic surface: 247.526
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.