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ENAMINE-ZINC03180964

 MMsINC code: MMs01297614
Type: Neutral
Formula: C10H18F3NO
SMILES:   FC(F)(F)C(O)C(N)CC1CCCCC1
InChI:   InChI=1/C10H18F3NO/c11-10(12,13)9(15)8(14)6-7-4-2-1-3-5-7/h7-9,15H,1-6,14H2/t8-,9+/m1/s1

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Potential Energy
Epot(MMFF94)=52.1388 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.254 g/mol  logS: -3.16539  SlogP: 2.6272  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118151  Sterimol/B1: 3.03613  Sterimol/B2: 3.48676  Sterimol/B3: 3.67105
  Sterimol/B4: 4.27107  Sterimol/L: 12.8382 
 
 Surface and Volume Properties
  Accessible surface: 408.076  Positive charged surface: 255.102  Negative charged surface: 152.974  Volume: 201.25
  Hydrophobic surface: 242.218  Hydrophilic surface: 165.858
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs01297615
ENAMINE-ZINC03180964