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PUBCHEM-ZINC06905656

 MMsINC code: MMs03896283
Type: Neutral
Formula: C14H22N2O8
SMILES:   O(C(C(OC(=O)C)C(=O)NC)CC(OC(=O)C)C(=O)NC)C(=O)C
InChI:   InChI=1/C14H22N2O8/c1-7(17)22-10(12(14(21)16-5)24-9(3)19)6-11(13(20)15-4)23-8(2)18/h10-12H,6H2,1-5H3,(H,15,20)(H,16,21)/t10-,11-,12-/m0/s1

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Potential Energy
Epot(MMFF94)=54.6412 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.336 g/mol  logS: -1.38404  SlogP: -1.3364  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.297529  Sterimol/B1: 2.21093  Sterimol/B2: 3.24822  Sterimol/B3: 6.72276
  Sterimol/B4: 10.0765  Sterimol/L: 14.1036 
 
 Surface and Volume Properties
  Accessible surface: 601.652  Positive charged surface: 405.266  Negative charged surface: 196.387  Volume: 312.25
  Hydrophobic surface: 442.393  Hydrophilic surface: 159.259
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.