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IBS-ZINC04899303

 MMsINC code: MMs01906526
Type: Neutral
Formula: C13H14FN3O3
SMILES:   Fc1cc2c([nH]c(C(O)=O)c2NC(=O)NC(C)C)cc1
InChI:   InChI=1/C13H14FN3O3/c1-6(2)15-13(20)17-10-8-5-7(14)3-4-9(8)16-11(10)12(18)19/h3-6,16H,1-2H3,(H,18,19)(H2,15,17,20)

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Potential Energy
Epot(MMFF94)=13.8957 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.271 g/mol  logS: -2.78981  SlogP: 2.5351  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0651201  Sterimol/B1: 2.09365  Sterimol/B2: 4.82939  Sterimol/B3: 5.56946
  Sterimol/B4: 6.29366  Sterimol/L: 13.5482 
 
 Surface and Volume Properties
  Accessible surface: 496.912  Positive charged surface: 293.832  Negative charged surface: 198.14  Volume: 244.625
  Hydrophobic surface: 290.127  Hydrophilic surface: 206.785
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 3  Acid groups: 0  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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Ions/Tautomers related molecules


MMs01906527
IBS-ZINC04899303