MMsINC Database Search


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MMsINC code: MMs01434296

Type: Neutral
Formula: C₁₉H₁₇N₃O₄S

SMILES:

S(=O)(=O)(Nc1ccccc1OC)c1ccc(NC(=O)c2ncccc2)cc1

InChI:

InChI=1/C19H17N3O4S/c1-26-18-8-3-2-6-16(18)22-27(24,25)15-11-9-14(10-12-15)21-19(23)17-7-4-5-13-20-17/h2-13,22H,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.06 kcal/mol

Physical Properties
Molecular Weight: 383.428 g/mol	logS: -3.96187	SlogP: 3.1433	Reactive groups: 0

Topological Properties
Globularity: 0.134451	Sterimol/B1: 2.52839	Sterimol/B2: 2.90355	Sterimol/B3: 7.39941
Sterimol/B4: 7.6005	Sterimol/L: 16.0978

Surface and Volume Properties
Accessible surface: 619.88	Positive charged surface: 376.627	Negative charged surface: 243.253	Volume: 338.125
Hydrophobic surface: 479.384	Hydrophilic surface: 140.496

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.