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PUBCHEM-ZINC05855860

 MMsINC code: MMs03419577
Type: Neutral
Formula: C14H16FN3O4
SMILES:   Fc1cc(N2CC(OC2=O)CNC(=O)C)ccc1N(C=O)C
InChI:   InChI=1/C14H16FN3O4/c1-9(20)16-6-11-7-18(14(21)22-11)10-3-4-13(12(15)5-10)17(2)8-19/h3-5,8,11H,6-7H2,1-2H3,(H,16,20)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=67.2643 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.297 g/mol  logS: -2.17393  SlogP: 0.8796  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0459013  Sterimol/B1: 3.41167  Sterimol/B2: 3.8986  Sterimol/B3: 4.042
  Sterimol/B4: 4.18822  Sterimol/L: 17.9601 
 
 Surface and Volume Properties
  Accessible surface: 539.672  Positive charged surface: 351.971  Negative charged surface: 187.7  Volume: 274.625
  Hydrophobic surface: 374.344  Hydrophilic surface: 165.328
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.