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NCID-ZINC05063582

 MMsINC code: MMs02435221
Type: Neutral
Formula: C16H23NO10
SMILES:   O(C(C(NC(=O)C)C=O)C(OC(=O)C)C(OC(=O)C)COC(=O)C)C(=O)C
InChI:   InChI=1/C16H23NO10/c1-8(19)17-13(6-18)15(26-11(4)22)16(27-12(5)23)14(25-10(3)21)7-24-9(2)20/h6,13-16H,7H2,1-5H3,(H,17,19)/t13-,14-,15-,16-/m1/s1

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Potential Energy
Epot(MMFF94)=63.6691 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.357 g/mol  logS: -1.46514  SlogP: -0.9518  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.257338  Sterimol/B1: 2.71693  Sterimol/B2: 3.50267  Sterimol/B3: 6.7144
  Sterimol/B4: 8.51245  Sterimol/L: 14.4521 
 
 Surface and Volume Properties
  Accessible surface: 642.661  Positive charged surface: 380.528  Negative charged surface: 262.134  Volume: 346.625
  Hydrophobic surface: 461.37  Hydrophilic surface: 181.291
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.