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CHEMBRIDGE-ZINC04745095

 MMsINC code: MMs00782493
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)=68.3314 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: 0.176603  Sterimol/B1: 2.24423  Sterimol/B2: 4.35025  Sterimol/B3: 4.61516
  Sterimol/B4: 11.0074  Sterimol/L: 15.0736 
 
 Surface and Volume Properties
  Accessible surface: 669.888  Positive charged surface: 430.883  Negative charged surface: 239.005  Volume: 358.5
  Hydrophobic surface: 496.21  Hydrophilic surface: 173.678
 
 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.