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NCID-ZINC05011038

 MMsINC code: MMs02427602
Type: Neutral
Formula: C16H25NO5
SMILES:   O1C(COC)C(OC)C(OC)C(OC)C1Nc1ccccc1
InChI:   InChI=1/C16H25NO5/c1-18-10-12-13(19-2)14(20-3)15(21-4)16(22-12)17-11-8-6-5-7-9-11/h5-9,12-17H,10H2,1-4H3/t12-,13+,14+,15+,16-/m1/s1

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Potential Energy
Epot(MMFF94)=118.167 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.378 g/mol  logS: -1.92411  SlogP: 1.5148  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.176701  Sterimol/B1: 2.08006  Sterimol/B2: 3.83944  Sterimol/B3: 4.56515
  Sterimol/B4: 10.0288  Sterimol/L: 14.115 
 
 Surface and Volume Properties
  Accessible surface: 582.942  Positive charged surface: 478.718  Negative charged surface: 104.225  Volume: 311.375
  Hydrophobic surface: 556.353  Hydrophilic surface: 26.589
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.