MMsINC Database Search


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MMsINC code: MMs00238230

Type: Neutral
Formula: C₂₃H₂₄N₂O₄S₂

SMILES:

S(=O)(=O)(N1CCCC1)c1cc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)ccc1

InChI:

InChI=1/C23H24N2O4S2/c26-30(27,21-14-9-15-22(18-21)31(28,29)25-16-7-8-17-25)24-23(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-6,9-15,18,23-24H,7-8,16-17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.4024 kcal/mol

Physical Properties
Molecular Weight: 456.587 g/mol	logS: -5.2246	SlogP: 3.6345	Reactive groups: 0

Topological Properties
Globularity: 0.145653	Sterimol/B1: 2.99782	Sterimol/B2: 4.65374	Sterimol/B3: 5.92846
Sterimol/B4: 7.31615	Sterimol/L: 17.827

Surface and Volume Properties
Accessible surface: 670.521	Positive charged surface: 382.008	Negative charged surface: 288.512	Volume: 410.25
Hydrophobic surface: 553.017	Hydrophilic surface: 117.504

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.