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NCID-ZINC05341251

 MMsINC code: MMs02453581
Type: Neutral
Formula: C15H23NO8
SMILES:   O1C2C(OC(OC2)(C)C)C(OC(=O)C)C(NC(=O)C)C1OC(=O)C
InChI:   InChI=1/C15H23NO8/c1-7(17)16-11-13(21-8(2)18)12-10(6-20-15(4,5)24-12)23-14(11)22-9(3)19/h10-14H,6H2,1-5H3,(H,16,17)/t10-,11-,12+,13-,14+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.2586 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.348 g/mol  logS: -1.91824  SlogP: -0.1377  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.243076  Sterimol/B1: 2.92582  Sterimol/B2: 4.71456  Sterimol/B3: 5.69763
  Sterimol/B4: 7.64146  Sterimol/L: 13.0887 
 
 Surface and Volume Properties
  Accessible surface: 585.344  Positive charged surface: 384.622  Negative charged surface: 200.722  Volume: 307.875
  Hydrophobic surface: 434.036  Hydrophilic surface: 151.308
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.