MMsINC Database Search


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MMsINC code: MMs03282854

Type: Neutral
Formula: C₁₈H₁₆N₂O₂S₂

SMILES:

S(=O)(Nc1ccccc1)c1ccc(S(=O)Nc2ccccc2)cc1

InChI:

InChI=1/C18H16N2O2S2/c21-23(19-15-7-3-1-4-8-15)17-11-13-18(14-12-17)24(22)20-16-9-5-2-6-10-16/h1-14,19-20H/t23-,24+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.06 kcal/mol

Physical Properties
Molecular Weight: 356.47 g/mol	logS: -5.00752	SlogP: 3.956	Reactive groups: 0

Topological Properties
Globularity: 0.0482577	Sterimol/B1: 2.72781	Sterimol/B2: 3.5916	Sterimol/B3: 4.74575
Sterimol/B4: 5.00805	Sterimol/L: 20.3196

Surface and Volume Properties
Accessible surface: 618.812	Positive charged surface: 327.965	Negative charged surface: 290.847	Volume: 323.75
Hydrophobic surface: 510.122	Hydrophilic surface: 108.69

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.