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MMsINC code: MMs00265224

Type: Neutral
Formula: C₁₉H₂₆N₂O₄S

SMILES:

S(=O)(=O)(N(CC(O)CN(C)C)c1ccccc1OC)c1ccc(cc1)C

InChI:

InChI=1/C19H26N2O4S/c1-15-9-11-17(12-10-15)26(23,24)21(14-16(22)13-20(2)3)18-7-5-6-8-19(18)25-4/h5-12,16,22H,13-14H2,1-4H3/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.71 kcal/mol

Physical Properties
Molecular Weight: 378.493 g/mol	logS: -3.34195	SlogP: 2.12142	Reactive groups: 0

Topological Properties
Globularity: 0.10605	Sterimol/B1: 2.65918	Sterimol/B2: 3.48912	Sterimol/B3: 4.99228
Sterimol/B4: 9.61817	Sterimol/L: 16.1834

Surface and Volume Properties
Accessible surface: 612.671	Positive charged surface: 436.315	Negative charged surface: 176.356	Volume: 363.125
Hydrophobic surface: 539.341	Hydrophilic surface: 73.33

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs00265225
ASINEX-ZINC02205512