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NCID-ZINC01737565

 MMsINC code: MMs02358499
Type: Neutral
Formula: C10H10Cl5O4P
SMILES:   Clc1c(OP(OCC)(OCC)=O)c(Cl)c(Cl)c(Cl)c1Cl
InChI:   InChI=1/C10H10Cl5O4P/c1-3-17-20(16,18-4-2)19-10-8(14)6(12)5(11)7(13)9(10)15/h3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.2947 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.425 g/mol  logS: -5.89389  SlogP: 5.4433  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138003  Sterimol/B1: 2.26145  Sterimol/B2: 3.53185  Sterimol/B3: 4.61504
  Sterimol/B4: 8.34738  Sterimol/L: 14.3561 
 
 Surface and Volume Properties
  Accessible surface: 546.891  Positive charged surface: 218.457  Negative charged surface: 328.433  Volume: 289.125
  Hydrophobic surface: 468.396  Hydrophilic surface: 78.495
 
 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: 1
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Ions/Tautomers related molecules: no related molecules available.