MMsINC Database Search


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MMsINC code: MMs01309731

Type: Neutral
Formula: C₂₄H₂₆N₂O₃S

SMILES:

S(=O)(=O)(Nc1ccc(cc1C)C)c1cc(ccc1)C(=O)Nc1ccccc1C(C)C

InChI:

InChI=1/C24H26N2O3S/c1-16(2)21-10-5-6-11-23(21)25-24(27)19-8-7-9-20(15-19)30(28,29)26-22-13-12-17(3)14-18(22)4/h5-16,26H,1-4H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.684 kcal/mol

Physical Properties
Molecular Weight: 422.549 g/mol	logS: -6.84201	SlogP: 5.47994	Reactive groups: 0

Topological Properties
Globularity: 0.179928	Sterimol/B1: 2.23343	Sterimol/B2: 4.22061	Sterimol/B3: 5.5426
Sterimol/B4: 10.0348	Sterimol/L: 15.1573

Surface and Volume Properties
Accessible surface: 692.481	Positive charged surface: 390.518	Negative charged surface: 301.963	Volume: 405.125
Hydrophobic surface: 556.866	Hydrophilic surface: 135.615

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.