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NCID-ZINC05352173

 MMsINC code: MMs02454234
Type: Neutral
Formula: C10H19NO6
SMILES:   O1C(CO)C(O)C(OC)C(NC(=O)C)C1OC
InChI:   InChI=1/C10H19NO6/c1-5(13)11-7-9(15-2)8(14)6(4-12)17-10(7)16-3/h6-10,12,14H,4H2,1-3H3,(H,11,13)/t6-,7+,8+,9-,10-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=76.3626 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 249.263 g/mol  logS: 0.17712  SlogP: -1.7694  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.396119  Sterimol/B1: 2.2695  Sterimol/B2: 3.3796  Sterimol/B3: 5.69656
  Sterimol/B4: 6.80606  Sterimol/L: 11.1417 
 
 Surface and Volume Properties
  Accessible surface: 467.165  Positive charged surface: 389.485  Negative charged surface: 77.6794  Volume: 230.5
  Hydrophobic surface: 345.576  Hydrophilic surface: 121.589
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.