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PUBCHEM-ZINC03806413

 MMsINC code: MMs03076835
Type: Neutral
Formula: C15H22FN3O6
SMILES:   FC1=CN(C2OC(C)C(O)C2O)C(=O)N=C1NC(OCCCCC)=O
InChI:   InChI=1/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10-,11-,13-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.3465 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.354 g/mol  logS: -2.90896  SlogP: 1.1233  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0310919  Sterimol/B1: 3.01336  Sterimol/B2: 3.65466  Sterimol/B3: 4.11863
  Sterimol/B4: 6.951  Sterimol/L: 19.7466 
 
 Surface and Volume Properties
  Accessible surface: 620.501  Positive charged surface: 430.782  Negative charged surface: 189.719  Volume: 317.5
  Hydrophobic surface: 374.595  Hydrophilic surface: 245.906
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.