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AURORAFEINCHEMIE-ZINC01636369

 MMsINC code: MMs00448691
Type: Neutral
Formula: C19H18N2O3
SMILES:   O(C)c1cc2N(CC)C(=O)c3c([nH]c4cc(OC)ccc34)-c2cc1
InChI:   InChI=1/C19H18N2O3/c1-4-21-16-10-12(24-3)6-8-14(16)18-17(19(21)22)13-7-5-11(23-2)9-15(13)20-18/h5-10,20H,4H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=90.126 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.364 g/mol  logS: -4.71643  SlogP: 3.8322  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0174196  Sterimol/B1: 2.07323  Sterimol/B2: 2.41352  Sterimol/B3: 3.44909
  Sterimol/B4: 7.86862  Sterimol/L: 18.1657 
 
 Surface and Volume Properties
  Accessible surface: 548.696  Positive charged surface: 377.254  Negative charged surface: 166.477  Volume: 305.875
  Hydrophobic surface: 455.803  Hydrophilic surface: 92.893
 
 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.