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MMsINC code: MMs01236772

Type: Neutral
Formula: C₁₉H₂₄N₂O₄S

SMILES:

S(=O)(=O)(N1CCN(CC1)CC)c1ccc(Oc2ccccc2OC)cc1

InChI:

InChI=1/C19H24N2O4S/c1-3-20-12-14-21(15-13-20)26(22,23)17-10-8-16(9-11-17)25-19-7-5-4-6-18(19)24-2/h4-11H,3,12-15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.1812 kcal/mol

Physical Properties
Molecular Weight: 376.477 g/mol	logS: -3.50547	SlogP: 2.8137	Reactive groups: 0

Topological Properties
Globularity: 0.0620463	Sterimol/B1: 2.60151	Sterimol/B2: 3.16788	Sterimol/B3: 4.91681
Sterimol/B4: 7.08769	Sterimol/L: 19.0688

Surface and Volume Properties
Accessible surface: 637.887	Positive charged surface: 445.482	Negative charged surface: 192.405	Volume: 351.625
Hydrophobic surface: 551.478	Hydrophilic surface: 86.409

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs01236773
ENAMINE-ZINC00953567