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CHEMBRIDGE-ZINC00315692

 MMsINC code: MMs00607520
Type: Neutral
Formula: C18H18N2O4
SMILES:   O(c1c(n[nH]c1C)-c1ccc(OC)c(OC)c1O)c1ccccc1
InChI:   InChI=1/C18H18N2O4/c1-11-17(24-12-7-5-4-6-8-12)15(20-19-11)13-9-10-14(22-2)18(23-3)16(13)21/h4-10,21H,1-3H3,(H,19,20)

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Potential Energy
Epot(MMFF94)=121.814 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.352 g/mol  logS: -4.05101  SlogP: 3.90022  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.143854  Sterimol/B1: 2.72322  Sterimol/B2: 3.3994  Sterimol/B3: 5.40342
  Sterimol/B4: 7.83392  Sterimol/L: 13.3359 
 
 Surface and Volume Properties
  Accessible surface: 572.011  Positive charged surface: 410.143  Negative charged surface: 161.868  Volume: 307.75
  Hydrophobic surface: 464.751  Hydrophilic surface: 107.26
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.