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NCID-ZINC05840070

 MMsINC code: MMs02505421
Type: Neutral
Formula: C10H16N2O4
SMILES:   O=C1N(C(C(OC)=O)C)C(=O)NC1C(C)C
InChI:   InChI=1/C10H16N2O4/c1-5(2)7-8(13)12(10(15)11-7)6(3)9(14)16-4/h5-7H,1-4H3,(H,11,15)/t6-,7-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=16.677 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.248 g/mol  logS: -1.50062  SlogP: 0.1243  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0964563  Sterimol/B1: 2.54092  Sterimol/B2: 3.46953  Sterimol/B3: 4.29632
  Sterimol/B4: 4.8681  Sterimol/L: 14.0475 
 
 Surface and Volume Properties
  Accessible surface: 425.504  Positive charged surface: 295.201  Negative charged surface: 130.303  Volume: 213.75
  Hydrophobic surface: 259.057  Hydrophilic surface: 166.447
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.