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PUBCHEM-ZINC05161036

 MMsINC code: MMs03216510
Type: Neutral
Formula: C16H13Cl2O5P
SMILES:   ClC(Cl)=C(P(Oc1ccccc1)(Oc1ccccc1)=O)OC(=O)C
InChI:   InChI=1/C16H13Cl2O5P/c1-12(19)21-16(15(17)18)24(20,22-13-8-4-2-5-9-13)23-14-10-6-3-7-11-14/h2-11H,1H3

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Potential Energy
Epot(MMFF94)=97.1088 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.155 g/mol  logS: -5.61894  SlogP: 4.5435  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.250527  Sterimol/B1: 2.40502  Sterimol/B2: 2.84832  Sterimol/B3: 6.60438
  Sterimol/B4: 9.88157  Sterimol/L: 13.2457 
 
 Surface and Volume Properties
  Accessible surface: 567.16  Positive charged surface: 259.871  Negative charged surface: 307.289  Volume: 316.875
  Hydrophobic surface: 542.701  Hydrophilic surface: 24.459
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.