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MMsINC code: MMs00923264

Type: Neutral
Formula: C₁₉H₁₉N₃O₂S

SMILES:

S(CC(=O)NCc1ncccc1)C1=CC(=O)N(c2c1cccc2)CC

InChI:

InChI=1/C19H19N3O2S/c1-2-22-16-9-4-3-8-15(16)17(11-19(22)24)25-13-18(23)21-12-14-7-5-6-10-20-14/h3-11H,2,12-13H2,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.5789 kcal/mol

Physical Properties
Molecular Weight: 353.446 g/mol	logS: -4.32909	SlogP: 3.105	Reactive groups: 0

Topological Properties
Globularity: 0.0284746	Sterimol/B1: 2.19703	Sterimol/B2: 2.68821	Sterimol/B3: 4.70232
Sterimol/B4: 8.03987	Sterimol/L: 18.5112

Surface and Volume Properties
Accessible surface: 629.077	Positive charged surface: 385.41	Negative charged surface: 243.667	Volume: 332.75
Hydrophobic surface: 477.23	Hydrophilic surface: 151.847

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.