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PUBCHEM-ZINC05158925

 MMsINC code: MMs03214953
Type: Neutral
Formula: C17H19NO4
SMILES:   O1c2c3N(C)C(=O)C(CC=C(C)C)=C(OC)c3ccc2OC1
InChI:   InChI=1/C17H19NO4/c1-10(2)5-6-12-15(20-4)11-7-8-13-16(22-9-21-13)14(11)18(3)17(12)19/h5,7-8H,6,9H2,1-4H3

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Potential Energy
Epot(MMFF94)=91.867 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.342 g/mol  logS: -3.82615  SlogP: 3.1055  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0912172  Sterimol/B1: 2.40939  Sterimol/B2: 3.94003  Sterimol/B3: 4.91756
  Sterimol/B4: 6.93165  Sterimol/L: 14.4324 
 
 Surface and Volume Properties
  Accessible surface: 531.28  Positive charged surface: 405.427  Negative charged surface: 125.853  Volume: 289.875
  Hydrophobic surface: 448.491  Hydrophilic surface: 82.789
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.