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PUBCHEM-ZINC05381377

 MMsINC code: MMs03252852
Type: Neutral
Formula: C11H21NO6
SMILES:   O1C(CO)C(O)C(O)C(NC(=O)C)C1OC(C)C
InChI:   InChI=1/C11H21NO6/c1-5(2)17-11-8(12-6(3)14)10(16)9(15)7(4-13)18-11/h5,7-11,13,15-16H,4H2,1-3H3,(H,12,14)/t7-,8-,9+,10-,11+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=75.1999 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.29 g/mol  logS: -0.13212  SlogP: -1.6449  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153019  Sterimol/B1: 3.31751  Sterimol/B2: 3.64637  Sterimol/B3: 3.8312
  Sterimol/B4: 7.11892  Sterimol/L: 12.9588 
 
 Surface and Volume Properties
  Accessible surface: 476.634  Positive charged surface: 347.932  Negative charged surface: 128.702  Volume: 242.125
  Hydrophobic surface: 268.708  Hydrophilic surface: 207.926
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.