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PUBCHEM-ZINC05855874

 MMsINC code: MMs03419583
Type: Neutral
Formula: C15H18FN3O5
SMILES:   Fc1cc(N2CC(OC2=O)CNC(=O)C)ccc1NC(=O)COC
InChI:   InChI=1/C15H18FN3O5/c1-9(20)17-6-11-7-19(15(22)24-11)10-3-4-13(12(16)5-10)18-14(21)8-23-2/h3-5,11H,6-8H2,1-2H3,(H,17,20)(H,18,21)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=81.9756 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.323 g/mol  logS: -2.52628  SlogP: 0.8719  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.019889  Sterimol/B1: 2.91388  Sterimol/B2: 3.05606  Sterimol/B3: 4.01246
  Sterimol/B4: 5.41521  Sterimol/L: 20.9331 
 
 Surface and Volume Properties
  Accessible surface: 588.14  Positive charged surface: 399.039  Negative charged surface: 189.101  Volume: 294.375
  Hydrophobic surface: 423.347  Hydrophilic surface: 164.793
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.