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CHEMDIV-ZINC04742165

 MMsINC code: MMs00946493
Type: Neutral
Formula: C19H25NO8
SMILES:   O(C(=O)c1nc(ccc1)C(OC(C(OC(C)C)=O)C)=O)C(C(OC(C)C)=O)C
InChI:   InChI=1/C19H25NO8/c1-10(2)25-16(21)12(5)27-18(23)14-8-7-9-15(20-14)19(24)28-13(6)17(22)26-11(3)4/h7-13H,1-6H3/t12-,13-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.5387 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 395.408 g/mol  logS: -3.97564  SlogP: 2.0754  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105231  Sterimol/B1: 2.08658  Sterimol/B2: 3.61967  Sterimol/B3: 6.29065
  Sterimol/B4: 10.7212  Sterimol/L: 16.2094 
 
 Surface and Volume Properties
  Accessible surface: 736.799  Positive charged surface: 463.87  Negative charged surface: 272.929  Volume: 373.875
  Hydrophobic surface: 464.331  Hydrophilic surface: 272.468
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.