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MMsINC code: MMs03169082

Type: Neutral
Formula: C₁₃H₁₂N₂O₂S

SMILES:

S(O)(=O)\C(=N/c1ccccc1)\Nc1ccccc1

InChI:

InChI=1/C13H12N2O2S/c16-18(17)13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H,14,15)(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.7207 kcal/mol

Physical Properties
Molecular Weight: 260.317 g/mol	logS: -3.73159	SlogP: 2.4422	Reactive groups: 0

Topological Properties
Globularity: 0.0712462	Sterimol/B1: 2.79186	Sterimol/B2: 3.05966	Sterimol/B3: 3.57656
Sterimol/B4: 6.62602	Sterimol/L: 13.7456

Surface and Volume Properties
Accessible surface: 469.325	Positive charged surface: 257.294	Negative charged surface: 212.031	Volume: 236.375
Hydrophobic surface: 357.02	Hydrophilic surface: 112.305

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

MMs03169083
PUBCHEM-ZINC04773690