MMsINC Database Search


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MMsINC code: MMs02762905

Type: Neutral
Formula: C₂₄H₂₆N₂O₃S

SMILES:

S(=O)(=O)(Nc1cccc(C)c1C)c1cc(ccc1C)C(=O)Nc1cc(C)c(cc1)C

InChI:

InChI=1/C24H26N2O3S/c1-15-10-12-21(13-18(15)4)25-24(27)20-11-9-17(3)23(14-20)30(28,29)26-22-8-6-7-16(2)19(22)5/h6-14,26H,1-5H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.232 kcal/mol

Physical Properties
Molecular Weight: 422.549 g/mol	logS: -6.75941	SlogP: 5.2818	Reactive groups: 0

Topological Properties
Globularity: 0.109756	Sterimol/B1: 2.54167	Sterimol/B2: 2.98533	Sterimol/B3: 6.2745
Sterimol/B4: 8.61826	Sterimol/L: 18.1467

Surface and Volume Properties
Accessible surface: 686.224	Positive charged surface: 381.363	Negative charged surface: 304.861	Volume: 404.625
Hydrophobic surface: 581.557	Hydrophilic surface: 104.667

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.