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NCID-ZINC05374301

 MMsINC code: MMs02456927
Type: Neutral
Formula: C14H21NO5
SMILES:   O1C(CO)C(O)C(O)C(O)C1Nc1cc(cc(c1)C)C
InChI:   InChI=1/C14H21NO5/c1-7-3-8(2)5-9(4-7)15-14-13(19)12(18)11(17)10(6-16)20-14/h3-5,10-19H,6H2,1-2H3/t10-,11+,12+,13-,14-/m0/s1

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Potential Energy
Epot(MMFF94)=89.9806 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.324 g/mol  logS: -1.49123  SlogP: -0.48476  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125665  Sterimol/B1: 2.20197  Sterimol/B2: 2.71746  Sterimol/B3: 5.17673
  Sterimol/B4: 6.79376  Sterimol/L: 13.5245 
 
 Surface and Volume Properties
  Accessible surface: 522.184  Positive charged surface: 368.877  Negative charged surface: 153.307  Volume: 269.375
  Hydrophobic surface: 337.599  Hydrophilic surface: 184.585
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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.