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MMsINC code: MMs02807025

Type: Neutral
Formula: C₁₉H₁₆N₂O₂S

SMILES:

S1\C(=C/C(=C/c2ccccc2)/C)\C(=O)N=C1Nc1ccccc1O

InChI:

InChI=1/C19H16N2O2S/c1-13(11-14-7-3-2-4-8-14)12-17-18(23)21-19(24-17)20-15-9-5-6-10-16(15)22/h2-12,22H,1H3,(H,20,21,23)/b13-11-,17-12-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.162 kcal/mol

Physical Properties
Molecular Weight: 336.415 g/mol	logS: -5.79701	SlogP: 4.4209	Reactive groups: 0

Topological Properties
Globularity: 0.0798065	Sterimol/B1: 2.06796	Sterimol/B2: 4.02587	Sterimol/B3: 4.66813
Sterimol/B4: 8.68796	Sterimol/L: 16.9138

Surface and Volume Properties
Accessible surface: 584.057	Positive charged surface: 315.29	Negative charged surface: 268.768	Volume: 314.625
Hydrophobic surface: 437.515	Hydrophilic surface: 146.542

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

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Ions/Tautomers related molecules: no related molecules available.