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CHEMBLOCK-ZINC02872075

 MMsINC code: MMs00534075
Type: Neutral
Formula: C10H14F3N3O3
SMILES:   FC(F)(F)C1(NC(=O)N(C)C1=O)NC(=O)CCCC
InChI:   InChI=1/C10H14F3N3O3/c1-3-4-5-6(17)14-9(10(11,12)13)7(18)16(2)8(19)15-9/h3-5H2,1-2H3,(H,14,17)(H,15,19)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=31.0914 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.234 g/mol  logS: -2.58558  SlogP: 1.1529  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0903801  Sterimol/B1: 3.28733  Sterimol/B2: 3.62764  Sterimol/B3: 3.67537
  Sterimol/B4: 5.29856  Sterimol/L: 14.3811 
 
 Surface and Volume Properties
  Accessible surface: 469.555  Positive charged surface: 293.891  Negative charged surface: 175.664  Volume: 225.125
  Hydrophobic surface: 241.9  Hydrophilic surface: 227.655
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.