MMsINC Database Search


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MMsINC code: MMs00945544

Type: Neutral
Formula: C₁₈H₁₆N₂O₄S₂

SMILES:

s1cccc1S(=O)(=O)Nc1ccc(cc1)C(=O)Nc1cc(OC)ccc1

InChI:

InChI=1/C18H16N2O4S2/c1-24-16-5-2-4-15(12-16)19-18(21)13-7-9-14(10-8-13)20-26(22,23)17-6-3-11-25-17/h2-12,20H,1H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.0103 kcal/mol

Physical Properties
Molecular Weight: 388.468 g/mol	logS: -5.0321	SlogP: 3.8098	Reactive groups: 0

Topological Properties
Globularity: 0.0677332	Sterimol/B1: 3.31095	Sterimol/B2: 3.56819	Sterimol/B3: 5.02746
Sterimol/B4: 5.64385	Sterimol/L: 18.1919

Surface and Volume Properties
Accessible surface: 623.013	Positive charged surface: 324.711	Negative charged surface: 298.302	Volume: 335.5
Hydrophobic surface: 491.763	Hydrophilic surface: 131.25

Pharmacophoric Properties
Hydrogen bond donors: 2	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.