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MMsINC code: MMs02719685

Type: Neutral
Formula: C₁₉H₂₃N₃O₄S

SMILES:

S(=O)(=O)(Nc1ncccc1)c1cc(C(=O)NC2CCCCC2)c(OC)cc1

InChI:

InChI=1/C19H23N3O4S/c1-26-17-11-10-15(27(24,25)22-18-9-5-6-12-20-18)13-16(17)19(23)21-14-7-3-2-4-8-14/h5-6,9-14H,2-4,7-8H2,1H3,(H,20,22)(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.4504 kcal/mol

Physical Properties
Molecular Weight: 389.476 g/mol	logS: -3.76749	SlogP: 2.9535	Reactive groups: 0

Topological Properties
Globularity: 0.118222	Sterimol/B1: 2.16884	Sterimol/B2: 2.22546	Sterimol/B3: 6.06218
Sterimol/B4: 11.0045	Sterimol/L: 14.4792

Surface and Volume Properties
Accessible surface: 614.415	Positive charged surface: 409.622	Negative charged surface: 204.793	Volume: 354.625
Hydrophobic surface: 494.639	Hydrophilic surface: 119.776

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.