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NCID-ZINC01737360

 MMsINC code: MMs02358332
Type: Neutral
Formula: C5H10Cl3O2P
SMILES:   ClC(Cl)(Cl)P(OCC)(=O)CC
InChI:   InChI=1/C5H10Cl3O2P/c1-3-10-11(9,4-2)5(6,7)8/h3-4H2,1-2H3/t11-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=29.7138 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.466 g/mol  logS: -2.47496  SlogP: 2.9983  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158129  Sterimol/B1: 2.81414  Sterimol/B2: 3.65494  Sterimol/B3: 3.96315
  Sterimol/B4: 6.11338  Sterimol/L: 10.1395 
 
 Surface and Volume Properties
  Accessible surface: 388.588  Positive charged surface: 162.722  Negative charged surface: 225.866  Volume: 184.875
  Hydrophobic surface: 167.812  Hydrophilic surface: 220.776
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.