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NCID-ZINC01674927

 MMsINC code: MMs02310318
Type: Neutral
Formula: C11H20N2O5
SMILES:   OC(=O)C(NC(=O)NC(C(C)C)C(O)=O)C(C)C
InChI:   InChI=1/C11H20N2O5/c1-5(2)7(9(14)15)12-11(18)13-8(6(3)4)10(16)17/h5-8H,1-4H3,(H,14,15)(H,16,17)(H2,12,13,18)/t7-,8+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=22.3241 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.29 g/mol  logS: -1.05751  SlogP: 0.504  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.09041  Sterimol/B1: 1.97104  Sterimol/B2: 3.41819  Sterimol/B3: 4.58665
  Sterimol/B4: 5.44856  Sterimol/L: 13.2794 
 
 Surface and Volume Properties
  Accessible surface: 469.073  Positive charged surface: 308.372  Negative charged surface: 160.701  Volume: 242.5
  Hydrophobic surface: 191.432  Hydrophilic surface: 277.641
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 5  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


MMs02310319
NCID-ZINC01674927