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PUBCHEM-ZINC03185582

 MMsINC code: MMs03006051
Type: Neutral
Formula: C11H18Cl6NO6P
SMILES:   ClC(Cl)(Cl)C(O)NC(OC(P(OC(C)C)(OC(C)C)=O)C(Cl)(Cl)Cl)=O
InChI:   InChI=1/C11H18Cl6NO6P/c1-5(2)23-25(21,24-6(3)4)8(11(15,16)17)22-9(20)18-7(19)10(12,13)14/h5-8,19H,1-4H3,(H,18,20)/t7-,8-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=29.8441 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 503.958 g/mol  logS: -5.54405  SlogP: 4.9102  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113122  Sterimol/B1: 2.2015  Sterimol/B2: 2.46191  Sterimol/B3: 4.91085
  Sterimol/B4: 9.75299  Sterimol/L: 14.9848 
 
 Surface and Volume Properties
  Accessible surface: 622.201  Positive charged surface: 218.307  Negative charged surface: 403.894  Volume: 370.75
  Hydrophobic surface: 176.877  Hydrophilic surface: 445.324
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.