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CHEMBRIDGE-ZINC04745088

 MMsINC code: MMs00782491
Type: Neutral
Formula: C17H27NO9
SMILES:   O1C(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C(NC(=O)C)C1OC(C)C
InChI:   InChI=1/C17H27NO9/c1-8(2)24-17-14(18-9(3)19)16(26-12(6)22)15(25-11(5)21)13(27-17)7-23-10(4)20/h8,13-17H,7H2,1-6H3,(H,18,19)/t13-,14+,15+,16-,17-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.7316 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.401 g/mol  logS: -1.98633  SlogP: 0.0675  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.289217  Sterimol/B1: 2.02599  Sterimol/B2: 4.53548  Sterimol/B3: 5.00349
  Sterimol/B4: 10.0619  Sterimol/L: 14.2095 
 
 Surface and Volume Properties
  Accessible surface: 654.777  Positive charged surface: 423.687  Negative charged surface: 231.09  Volume: 356.625
  Hydrophobic surface: 484.842  Hydrophilic surface: 169.935
 
 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.