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NCID-ZINC01737568

 MMsINC code: MMs02358500
Type: Neutral
Formula: C14H18Cl5O4P
SMILES:   Clc1c(OP(OCCCC)(OCCCC)=O)c(Cl)c(Cl)c(Cl)c1Cl
InChI:   InChI=1/C14H18Cl5O4P/c1-3-5-7-21-24(20,22-8-6-4-2)23-14-12(18)10(16)9(15)11(17)13(14)19/h3-8H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.1967 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 458.533 g/mol  logS: -7.32787  SlogP: 7.0037  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104995  Sterimol/B1: 4.23328  Sterimol/B2: 4.39681  Sterimol/B3: 4.67319
  Sterimol/B4: 8.92594  Sterimol/L: 17.0051 
 
 Surface and Volume Properties
  Accessible surface: 660.764  Positive charged surface: 314.081  Negative charged surface: 346.683  Volume: 360.125
  Hydrophobic surface: 582.559  Hydrophilic surface: 78.205
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.