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NCID-ZINC05341260

 MMsINC code: MMs02453589
Type: Neutral
Formula: C14H19NO5
SMILES:   O1C(C)C(NC(=O)c2ccccc2)C(O)C(O)C1CO
InChI:   InChI=1/C14H19NO5/c1-8-11(13(18)12(17)10(7-16)20-8)15-14(19)9-5-3-2-4-6-9/h2-6,8,10-13,16-18H,7H2,1H3,(H,15,19)/t8-,10+,11-,12-,13+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=98.261 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.308 g/mol  logS: -1.54208  SlogP: -0.7136  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0700806  Sterimol/B1: 2.26057  Sterimol/B2: 2.77225  Sterimol/B3: 3.87393
  Sterimol/B4: 6.84851  Sterimol/L: 15.8988 
 
 Surface and Volume Properties
  Accessible surface: 506.672  Positive charged surface: 334.459  Negative charged surface: 172.213  Volume: 259.625
  Hydrophobic surface: 329.409  Hydrophilic surface: 177.263
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.