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ASINEX-ZINC00037808

 MMsINC code: MMs00061991
Type: Ionized
Formula: C10H6F3N2O2-
SMILES:   FC(F)(F)c1nc2c(n1CC(=O)[O-])cccc2
InChI:   InChI=1/C10H7F3N2O2/c11-10(12,13)9-14-6-3-1-2-4-7(6)15(9)5-8(16)17/h1-4H,5H2,(H,16,17)/p-1

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Potential Energy
Epot(MMFF94)=36.344 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.164 g/mol  logS: -2.84325  SlogP: 1.3829  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0757318  Sterimol/B1: 2.92981  Sterimol/B2: 3.51278  Sterimol/B3: 3.8757
  Sterimol/B4: 5.69719  Sterimol/L: 10.6954 
 
 Surface and Volume Properties
  Accessible surface: 385.13  Positive charged surface: 139.259  Negative charged surface: 245.871  Volume: 184.25
  Hydrophobic surface: 188.795  Hydrophilic surface: 196.335
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 2  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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Parent related molecule:


MMs00061990
ASINEX-ZINC00037808