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MMsINC code: MMs03260640

Type: Tautomer
Formula: C₁₅H₁₅NO₂

SMILES:

Oc1cc(O)ccc1/C(=N\Cc1ccccc1)/C

InChI:

InChI=1/C15H15NO2/c1-11(14-8-7-13(17)9-15(14)18)16-10-12-5-3-2-4-6-12/h2-9,17-18H,10H2,1H3/b16-11+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.1597 kcal/mol

Physical Properties
Molecular Weight: 241.29 g/mol	logS: -2.83592	SlogP: 3.3734	Reactive groups: 0

Topological Properties
Globularity: 0.103903	Sterimol/B1: 1.969	Sterimol/B2: 3.52249	Sterimol/B3: 4.40039
Sterimol/B4: 6.68447	Sterimol/L: 14.2551

Surface and Volume Properties
Accessible surface: 475.5	Positive charged surface: 284.747	Negative charged surface: 190.753	Volume: 242.5
Hydrophobic surface: 374.595	Hydrophilic surface: 100.905

Pharmacophoric Properties
Hydrogen bond donors: 2	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

search links for this molecule:

Parent related molecule:

MMs03260639
PUBCHEM-ZINC05411986