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PUBCHEM-ZINC06438841

 MMsINC code: MMs03729326
Type: Neutral
Formula: C18H19NO3
SMILES:   Oc1c(cc(cc1C)\C=N\c1cc(ccc1C)C(OC)=O)C
InChI:   InChI=1/C18H19NO3/c1-11-5-6-15(18(21)22-4)9-16(11)19-10-14-7-12(2)17(20)13(3)8-14/h5-10,20H,1-4H3/b19-10+

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Potential Energy
Epot(MMFF94)=70.6786 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.354 g/mol  logS: -3.81081  SlogP: 3.85466  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0553862  Sterimol/B1: 2.39772  Sterimol/B2: 2.64795  Sterimol/B3: 4.93135
  Sterimol/B4: 8.2513  Sterimol/L: 16.9566 
 
 Surface and Volume Properties
  Accessible surface: 583.043  Positive charged surface: 393.039  Negative charged surface: 190.004  Volume: 299.875
  Hydrophobic surface: 494.685  Hydrophilic surface: 88.358
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.