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MMsINC code: MMs02960338

Type: Neutral
Formula: C₁₉H₂₆N₂O₃S₂

SMILES:

s1cccc1CN(S(=O)(=O)c1ccc(cc1)C)CCCN1CCOCC1

InChI:

InChI=1/C19H26N2O3S2/c1-17-5-7-19(8-6-17)26(22,23)21(16-18-4-2-15-25-18)10-3-9-20-11-13-24-14-12-20/h2,4-8,15H,3,9-14,16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.1295 kcal/mol

Physical Properties
Molecular Weight: 394.56 g/mol	logS: -3.73807	SlogP: 3.23612	Reactive groups: 0

Topological Properties
Globularity: 0.0853945	Sterimol/B1: 2.74472	Sterimol/B2: 3.28287	Sterimol/B3: 5.76298
Sterimol/B4: 7.24249	Sterimol/L: 17.2977

Surface and Volume Properties
Accessible surface: 635.65	Positive charged surface: 425.643	Negative charged surface: 210.007	Volume: 370.375
Hydrophobic surface: 561.324	Hydrophilic surface: 74.326

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

MMs02960339
PUBCHEM-ZINC02923655