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CHEMBLOCK-ZINC06668859

 MMsINC code: MMs00583162
Type: Neutral
Formula: C14H15NO5
SMILES:   O1C2OCC1C1ON=C(C1C2O)c1ccc(OC)cc1
InChI:   InChI=1/C14H15NO5/c1-17-8-4-2-7(3-5-8)11-10-12(16)14-18-6-9(19-14)13(10)20-15-11/h2-5,9-10,12-14,16H,6H2,1H3/t9-,10+,12-,13-,14-/m1/s1

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Potential Energy
Epot(MMFF94)=108.438 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.276 g/mol  logS: -2.13419  SlogP: 0.5303  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0926856  Sterimol/B1: 2.5266  Sterimol/B2: 3.27394  Sterimol/B3: 4.38672
  Sterimol/B4: 5.59671  Sterimol/L: 14.6339 
 
 Surface and Volume Properties
  Accessible surface: 471.867  Positive charged surface: 333.254  Negative charged surface: 138.613  Volume: 244.75
  Hydrophobic surface: 342.893  Hydrophilic surface: 128.974
 
 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.