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PUBCHEM-ZINC02039568

 MMsINC code: MMs02862588
Type: Neutral
Formula: C10H12Cl5N2O2P
SMILES:   Clc1c(OP(=O)(N(C)C)N(C)C)c(Cl)c(Cl)c(Cl)c1Cl
InChI:   InChI=1/C10H12Cl5N2O2P/c1-16(2)20(18,17(3)4)19-10-8(14)6(12)5(11)7(13)9(10)15/h1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.2638 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.457 g/mol  logS: -4.27609  SlogP: 4.4935  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.225366  Sterimol/B1: 2.51171  Sterimol/B2: 2.8188  Sterimol/B3: 5.3125
  Sterimol/B4: 7.13162  Sterimol/L: 13.336 
 
 Surface and Volume Properties
  Accessible surface: 501.129  Positive charged surface: 239.429  Negative charged surface: 261.701  Volume: 295.625
  Hydrophobic surface: 485.932  Hydrophilic surface: 15.197
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.