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MMsINC code: MMs03212298

Type: Neutral
Formula: C₂₄H₂₈N₂O₃S

SMILES:

S(O)(=O)(=O)c1ccccc1CC(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1

InChI:

InChI=1/C24H28N2O3S/c1-25(2)21-13-9-18(10-14-21)23(19-11-15-22(16-12-19)26(3)4)17-20-7-5-6-8-24(20)30(27,28)29/h5-16,23H,17H2,1-4H3,(H,27,28,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=143.039 kcal/mol

Physical Properties
Molecular Weight: 424.565 g/mol	logS: -5.11008	SlogP: 3.87417	Reactive groups: 0

Topological Properties
Globularity: 0.140502	Sterimol/B1: 2.38699	Sterimol/B2: 5.04445	Sterimol/B3: 5.8339
Sterimol/B4: 8.73696	Sterimol/L: 15.4445

Surface and Volume Properties
Accessible surface: 678.277	Positive charged surface: 476.622	Negative charged surface: 201.655	Volume: 411.875
Hydrophobic surface: 583.965	Hydrophilic surface: 94.312

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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

MMs03212299
PUBCHEM-ZINC05140555