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MMsINC code: MMs03293652

Type: Neutral
Formula: C₁₉H₂₄N₂O₃S

SMILES:

S(=O)(=O)(NC1CCN(CC1)Cc1ccccc1)c1ccc(OC)cc1

InChI:

InChI=1/C19H24N2O3S/c1-24-18-7-9-19(10-8-18)25(22,23)20-17-11-13-21(14-12-17)15-16-5-3-2-4-6-16/h2-10,17,20H,11-15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.9399 kcal/mol

Physical Properties
Molecular Weight: 360.478 g/mol	logS: -3.49141	SlogP: 2.9045	Reactive groups: 0

Topological Properties
Globularity: 0.0872989	Sterimol/B1: 2.10504	Sterimol/B2: 4.14319	Sterimol/B3: 4.20696
Sterimol/B4: 8.33836	Sterimol/L: 17.8354

Surface and Volume Properties
Accessible surface: 617.232	Positive charged surface: 404.291	Negative charged surface: 212.941	Volume: 345.375
Hydrophobic surface: 524.542	Hydrophilic surface: 92.69

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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

MMs03293653
PUBCHEM-ZINC05513904