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APOLLO-ZINC02517129

 MMsINC code: MMs00052583
Type: Neutral
Formula: C14H14F5NO4
SMILES:   Fc1c(CC(NC(OC(C)(C)C)=O)C(O)=O)c(F)c(F)c(F)c1F
InChI:   InChI=1/C14H14F5NO4/c1-14(2,3)24-13(23)20-6(12(21)22)4-5-7(15)9(17)11(19)10(18)8(5)16/h6H,4H2,1-3H3,(H,20,23)(H,21,22)/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=41.8607 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.259 g/mol  logS: -4.12167  SlogP: 2.90247  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141315  Sterimol/B1: 3.35296  Sterimol/B2: 4.22395  Sterimol/B3: 5.53259
  Sterimol/B4: 6.20601  Sterimol/L: 12.5773 
 
 Surface and Volume Properties
  Accessible surface: 537.676  Positive charged surface: 266.485  Negative charged surface: 271.19  Volume: 275.125
  Hydrophobic surface: 372.002  Hydrophilic surface: 165.674
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00052584
APOLLO-ZINC02517129