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NANOSIN-ZINC03124629

 MMsINC code: MMs02202773
Type: Neutral
Formula: C10H15F6NO
SMILES:   FC(F)(F)C(CC)(C(=O)NCCCC)C(F)(F)F
InChI:   InChI=1/C10H15F6NO/c1-3-5-6-17-7(18)8(4-2,9(11,12)13)10(14,15)16/h3-6H2,1-2H3,(H,17,18)

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Potential Energy
Epot(MMFF94)=-10.7997 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.224 g/mol  logS: -3.44676  SlogP: 4.2635  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.094924  Sterimol/B1: 3.3003  Sterimol/B2: 3.84213  Sterimol/B3: 3.9262
  Sterimol/B4: 3.96457  Sterimol/L: 13.3994 
 
 Surface and Volume Properties
  Accessible surface: 440.265  Positive charged surface: 225.702  Negative charged surface: 214.563  Volume: 218.25
  Hydrophobic surface: 231.059  Hydrophilic surface: 209.206
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.