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IBS-ZINC02319898

 MMsINC code: MMs01831480
Type: Neutral
Formula: C15H12F5O3P
SMILES:   P(OCC)(=O)(C(O)c1ccccc1)c1c(F)c(F)c(F)c(F)c1F
InChI:   InChI=1/C15H12F5O3P/c1-2-23-24(22,15(21)8-6-4-3-5-7-8)14-12(19)10(17)9(16)11(18)13(14)20/h3-7,15,21H,2H2,1H3/t15-,24+/m0/s1

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Potential Energy
Epot(MMFF94)=66.7517 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.222 g/mol  logS: -4.42888  SlogP: 3.0384  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0984431  Sterimol/B1: 2.01327  Sterimol/B2: 3.51142  Sterimol/B3: 3.94573
  Sterimol/B4: 7.48269  Sterimol/L: 14.9738 
 
 Surface and Volume Properties
  Accessible surface: 515.087  Positive charged surface: 243.053  Negative charged surface: 272.034  Volume: 281.5
  Hydrophobic surface: 437.178  Hydrophilic surface: 77.909
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.