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ALFAAESAR-ZINC02560191

 MMsINC code: MMs00023695
Type: Neutral
Formula: C10H6F4O2
SMILES:   Fc1cc(C(F)(F)F)c(cc1)\C=C\C(O)=O
InChI:   InChI=1/C10H6F4O2/c11-7-3-1-6(2-4-9(15)16)8(5-7)10(12,13)14/h1-5H,(H,15,16)/b4-2+

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Potential Energy
Epot(MMFF94)=37.7896 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.148 g/mol  logS: -3.21163  SlogP: 3.2538  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0175676  Sterimol/B1: 2.54906  Sterimol/B2: 2.63663  Sterimol/B3: 2.63949
  Sterimol/B4: 6.40029  Sterimol/L: 12.3594 
 
 Surface and Volume Properties
  Accessible surface: 382.377  Positive charged surface: 129.573  Negative charged surface: 252.803  Volume: 177.875
  Hydrophobic surface: 187.042  Hydrophilic surface: 195.335
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs00023696
ALFAAESAR-ZINC02560191