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ENAMINE-ZINC03578739

 MMsINC code: MMs01516591
Type: Neutral
Formula: C15H18F4N2
SMILES:   Fc1c(NNC=2CC(CC(C=2)(C)C)C)c(F)c(F)cc1F
InChI:   InChI=1/C15H18F4N2/c1-8-4-9(7-15(2,3)6-8)20-21-14-12(18)10(16)5-11(17)13(14)19/h5,7-8,20-21H,4,6H2,1-3H3/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=78.7802 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.315 g/mol  logS: -4.62368  SlogP: 4.4995  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0700592  Sterimol/B1: 2.45911  Sterimol/B2: 2.58829  Sterimol/B3: 4.11989
  Sterimol/B4: 7.08429  Sterimol/L: 14.7275 
 
 Surface and Volume Properties
  Accessible surface: 513.165  Positive charged surface: 292.416  Negative charged surface: 220.749  Volume: 267.25
  Hydrophobic surface: 436.204  Hydrophilic surface: 76.961
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 0  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: no related molecules available.