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NCID-ZINC05341379

 MMsINC code: MMs02453686
Type: Neutral
Formula: C13H23NO5
SMILES:   O1C2C(COC(OC2)(C)C)C(O)C(NC(=O)C)C1C
InChI:   InChI=1/C13H23NO5/c1-7-11(14-8(2)15)12(16)9-5-17-13(3,4)18-6-10(9)19-7/h7,9-12,16H,5-6H2,1-4H3,(H,14,15)/t7-,9+,10-,11+,12+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=151.037 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.329 g/mol  logS: -1.40745  SlogP: 0.0384  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.12248  Sterimol/B1: 2.39285  Sterimol/B2: 3.41044  Sterimol/B3: 3.86932
  Sterimol/B4: 5.72969  Sterimol/L: 14.3086 
 
 Surface and Volume Properties
  Accessible surface: 471.599  Positive charged surface: 329.358  Negative charged surface: 142.241  Volume: 256
  Hydrophobic surface: 312.977  Hydrophilic surface: 158.622
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.