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MMsINC code: MMs02388912

Type: Neutral
Formula: C₂₃H₂₆N₂O₃S

SMILES:

S(O)(=O)(=O)c1ccccc1C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1

InChI:

InChI=1/C23H26N2O3S/c1-24(2)19-13-9-17(10-14-19)23(18-11-15-20(16-12-18)25(3)4)21-7-5-6-8-22(21)29(26,27)28/h5-16,23H,1-4H3,(H,26,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=143.618 kcal/mol

Physical Properties
Molecular Weight: 410.538 g/mol	logS: -4.73516	SlogP: 3.6798	Reactive groups: 0

Topological Properties
Globularity: 0.174833	Sterimol/B1: 1.99358	Sterimol/B2: 3.52828	Sterimol/B3: 5.74443
Sterimol/B4: 10.657	Sterimol/L: 16.094

Surface and Volume Properties
Accessible surface: 671.201	Positive charged surface: 467.932	Negative charged surface: 203.27	Volume: 392.5
Hydrophobic surface: 577.093	Hydrophilic surface: 94.108

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

MMs02388913
NCID-ZINC04520956