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NCID-ZINC04990526

 MMsINC code: MMs02424623
Type: Neutral
Formula: C17H27NO9
SMILES:   O1C(C(NC(=O)C)COC(=O)C)C(OC1(C)C)C(OC(=O)C)COC(=O)C
InChI:   InChI=1/C17H27NO9/c1-9(19)18-13(7-23-10(2)20)15-16(27-17(5,6)26-15)14(25-12(4)22)8-24-11(3)21/h13-16H,7-8H2,1-6H3,(H,18,19)/t13-,14-,15-,16+/m1/s1

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Potential Energy
Epot(MMFF94)=86.057 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.401 g/mol  logS: -2.16156  SlogP: 0.0691  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.385933  Sterimol/B1: 2.28042  Sterimol/B2: 3.7115  Sterimol/B3: 7.72048
  Sterimol/B4: 8.86848  Sterimol/L: 15.5913 
 
 Surface and Volume Properties
  Accessible surface: 661.144  Positive charged surface: 418.912  Negative charged surface: 242.232  Volume: 358.625
  Hydrophobic surface: 487.176  Hydrophilic surface: 173.968
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.