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PUBCHEM-ZINC05220202

 MMsINC code: MMs03224872
Type: Neutral
Formula: C18H27NO10
SMILES:   O1C(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C(NC(=O)C(C)C)C1OC(=O)C
InChI:   InChI=1/C18H27NO10/c1-8(2)17(24)19-14-16(27-11(5)22)15(26-10(4)21)13(7-25-9(3)20)29-18(14)28-12(6)23/h8,13-16,18H,7H2,1-6H3,(H,19,24)/t13-,14-,15+,16-,18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.8031 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 417.411 g/mol  logS: -2.00834  SlogP: -0.1583  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.154723  Sterimol/B1: 3.69919  Sterimol/B2: 5.32812  Sterimol/B3: 5.73887
  Sterimol/B4: 8.16969  Sterimol/L: 16.4285 
 
 Surface and Volume Properties
  Accessible surface: 705.135  Positive charged surface: 444.515  Negative charged surface: 260.62  Volume: 377
  Hydrophobic surface: 505.172  Hydrophilic surface: 199.963
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.