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PUBCHEM-ZINC06521237

 MMsINC code: MMs03779642
Type: Neutral
Formula: C15H20N2O5
SMILES:   O1C(C=CC1N1C=C(C)C(=O)NC1=O)COC(=O)C(C)(C)C
InChI:   InChI=1/C15H20N2O5/c1-9-7-17(14(20)16-12(9)18)11-6-5-10(22-11)8-21-13(19)15(2,3)4/h5-7,10-11H,8H2,1-4H3,(H,16,18,20)/t10-,11+/m0/s1

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Potential Energy
Epot(MMFF94)=34.9785 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.334 g/mol  logS: -2.02288  SlogP: 1.3124  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121317  Sterimol/B1: 2.61716  Sterimol/B2: 3.2197  Sterimol/B3: 4.52007
  Sterimol/B4: 7.19128  Sterimol/L: 13.7302 
 
 Surface and Volume Properties
  Accessible surface: 517.725  Positive charged surface: 330.525  Negative charged surface: 187.2  Volume: 286.625
  Hydrophobic surface: 321.907  Hydrophilic surface: 195.818
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.