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MMsINC code: MMs02126482

Type: Tautomer
Formula: C₁₅H₁₅NO

SMILES:

Oc1ccccc1/C(=N\Cc1ccccc1)/C

InChI:

InChI=1/C15H15NO/c1-12(14-9-5-6-10-15(14)17)16-11-13-7-3-2-4-8-13/h2-10,17H,11H2,1H3/b16-12+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.5585 kcal/mol

Physical Properties
Molecular Weight: 225.291 g/mol	logS: -3.19787	SlogP: 3.6678	Reactive groups: 0

Topological Properties
Globularity: 0.117117	Sterimol/B1: 1.969	Sterimol/B2: 3.51837	Sterimol/B3: 4.39527
Sterimol/B4: 6.81712	Sterimol/L: 13.53

Surface and Volume Properties
Accessible surface: 460.475	Positive charged surface: 268.614	Negative charged surface: 191.861	Volume: 237.375
Hydrophobic surface: 411.519	Hydrophilic surface: 48.956

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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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Parent related molecule:

MMs02126481
MAYBRIDGE-ZINC00001849