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NCID-ZINC05341376

 MMsINC code: MMs02453683
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-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=208.933 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: 0.277628  Sterimol/B1: 2.19095  Sterimol/B2: 2.5856  Sterimol/B3: 6.01216
  Sterimol/B4: 6.98094  Sterimol/L: 11.2828 
 
 Surface and Volume Properties
  Accessible surface: 465.977  Positive charged surface: 334.474  Negative charged surface: 131.503  Volume: 252.75
  Hydrophobic surface: 325.764  Hydrophilic surface: 140.213
 
 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.