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NCID-ZINC01679722

 MMsINC code: MMs02314266
Type: Neutral
Formula: C11H14N2O4
SMILES:   O=C1NC(=O)N(C=C1C(O)=O)C1CCCCC1
InChI:   InChI=1/C11H14N2O4/c14-9-8(10(15)16)6-13(11(17)12-9)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,15,16)(H,12,14,17)

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Potential Energy
Epot(MMFF94)=2.14961 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.243 g/mol  logS: -1.78363  SlogP: 0.8394  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115239  Sterimol/B1: 3.36295  Sterimol/B2: 3.6243  Sterimol/B3: 3.62437
  Sterimol/B4: 5.01308  Sterimol/L: 13.5439 
 
 Surface and Volume Properties
  Accessible surface: 415.658  Positive charged surface: 280.539  Negative charged surface: 135.119  Volume: 210.625
  Hydrophobic surface: 223.25  Hydrophilic surface: 192.408
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs02314267
NCID-ZINC01679722