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NCID-ZINC01732671

 MMsINC code: MMs02355327
Type: Neutral
Formula: C10H11Cl4O5P
SMILES:   Clc1c(OP(OCC)(OCC)=O)c(Cl)c(Cl)c(O)c1Cl
InChI:   InChI=1/C10H11Cl4O5P/c1-3-17-20(16,18-4-2)19-10-7(13)5(11)9(15)6(12)8(10)14/h15H,3-4H2,1-2H3

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Potential Energy
Epot(MMFF94)=40.3364 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.979 g/mol  logS: -4.79765  SlogP: 4.4955  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120553  Sterimol/B1: 3.17178  Sterimol/B2: 3.89089  Sterimol/B3: 4.22037
  Sterimol/B4: 7.3013  Sterimol/L: 13.8788 
 
 Surface and Volume Properties
  Accessible surface: 529.178  Positive charged surface: 236.549  Negative charged surface: 292.629  Volume: 281.75
  Hydrophobic surface: 410.402  Hydrophilic surface: 118.776
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.