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NCID-ZINC05341398

 MMsINC code: MMs02453705
Type: Neutral
Formula: C11H16N2O4
SMILES:   O=C/1N(CCCC)C(=O)N\C\1=C\C(OCC)=O
InChI:   InChI=1/C11H16N2O4/c1-3-5-6-13-10(15)8(12-11(13)16)7-9(14)17-4-2/h7H,3-6H2,1-2H3,(H,12,16)/b8-7-

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Potential Energy
Epot(MMFF94)=-6.72777 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.259 g/mol  logS: -2.38544  SlogP: 0.7853  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0405833  Sterimol/B1: 2.36513  Sterimol/B2: 2.49247  Sterimol/B3: 4.45079
  Sterimol/B4: 5.12312  Sterimol/L: 17.5133 
 
 Surface and Volume Properties
  Accessible surface: 489.803  Positive charged surface: 332.495  Negative charged surface: 157.308  Volume: 228.25
  Hydrophobic surface: 303.117  Hydrophilic surface: 186.686
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02453706
NCID-ZINC05341398