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NCID-ZINC05374106

 MMsINC code: MMs02456902
Type: Neutral
Formula: C11H21NO6
SMILES:   O1C(CO)C(OC)C(OC)C(NC(=O)C)C1OC
InChI:   InChI=1/C11H21NO6/c1-6(14)12-8-10(16-3)9(15-2)7(5-13)18-11(8)17-4/h7-11,13H,5H2,1-4H3,(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)=77.4392 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.29 g/mol  logS: -0.16806  SlogP: -1.1153  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.422518  Sterimol/B1: 2.25502  Sterimol/B2: 2.42088  Sterimol/B3: 6.36037
  Sterimol/B4: 7.54719  Sterimol/L: 10.7102 
 
 Surface and Volume Properties
  Accessible surface: 480.469  Positive charged surface: 407.991  Negative charged surface: 72.478  Volume: 250.5
  Hydrophobic surface: 384.441  Hydrophilic surface: 96.028
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.