MMsINC Database Search


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MMsINC code: MMs00174984

Type: Neutral
Formula: C₁₉H₁₄N₂O₂S

SMILES:

S(=O)(=O)(Nc1c2c(nccc2)ccc1)c1cc2c(cc1)cccc2

InChI:

InChI=1/C19H14N2O2S/c22-24(23,16-11-10-14-5-1-2-6-15(14)13-16)21-19-9-3-8-18-17(19)7-4-12-20-18/h1-13,21H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.1107 kcal/mol

Physical Properties
Molecular Weight: 334.399 g/mol	logS: -5.51314	SlogP: 4.1888	Reactive groups: 0

Topological Properties
Globularity: 0.257341	Sterimol/B1: 2.87622	Sterimol/B2: 4.30482	Sterimol/B3: 5.67278
Sterimol/B4: 6.70249	Sterimol/L: 13.0293

Surface and Volume Properties
Accessible surface: 536.844	Positive charged surface: 276.145	Negative charged surface: 248.596	Volume: 302.125
Hydrophobic surface: 438.762	Hydrophilic surface: 98.082

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.