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CHEMBLOCK-ZINC06668860

 MMsINC code: MMs00583163
Type: Neutral
Formula: C14H15NO5
SMILES:   O1C2OCC1C1C(ON=C1c1ccc(OC)cc1)C2O
InChI:   InChI=1/C14H15NO5/c1-17-8-4-2-7(3-5-8)11-10-9-6-18-14(19-9)12(16)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)=103.979 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: 0.0979006  Sterimol/B1: 3.32315  Sterimol/B2: 3.38093  Sterimol/B3: 4.3197
  Sterimol/B4: 4.54287  Sterimol/L: 14.1627 
 
 Surface and Volume Properties
  Accessible surface: 462.487  Positive charged surface: 318.843  Negative charged surface: 143.644  Volume: 244.875
  Hydrophobic surface: 322.741  Hydrophilic surface: 139.746
 
 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.