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PUBCHEM-ZINC05835008

 MMsINC code: MMs03407534
Type: Neutral
Formula: C5H12Cl2NO2P
SMILES:   ClC(Cl)P(OC)(=O)NCCC
InChI:   InChI=1/C5H12Cl2NO2P/c1-3-4-8-11(9,10-2)5(6)7/h5H,3-4H2,1-2H3,(H,8,9)/t11-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.2426 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.036 g/mol  logS: -0.55014  SlogP: 1.9364  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0965083  Sterimol/B1: 3.01075  Sterimol/B2: 3.05601  Sterimol/B3: 3.94154
  Sterimol/B4: 4.59445  Sterimol/L: 12.045 
 
 Surface and Volume Properties
  Accessible surface: 390.99  Positive charged surface: 217.536  Negative charged surface: 173.454  Volume: 179.5
  Hydrophobic surface: 206.767  Hydrophilic surface: 184.223
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.