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ASINEX-ZINC02867259

 MMsINC code: MMs00279852
Type: Neutral
Formula: C12H16F3N3O4
SMILES:   FC(F)(F)C1(NC(=O)N(C1=O)C1CCCCC1)NC(OC)=O
InChI:   InChI=1/C12H16F3N3O4/c1-22-10(21)17-11(12(13,14)15)8(19)18(9(20)16-11)7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,16,20)(H,17,21)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=24.3953 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.271 g/mol  logS: -2.89397  SlogP: 1.9054  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.103679  Sterimol/B1: 2.1874  Sterimol/B2: 3.22926  Sterimol/B3: 3.78372
  Sterimol/B4: 6.5018  Sterimol/L: 14.5534 
 
 Surface and Volume Properties
  Accessible surface: 497.368  Positive charged surface: 322.137  Negative charged surface: 175.231  Volume: 253.875
  Hydrophobic surface: 291.984  Hydrophilic surface: 205.384
 
 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.