MMsINC Database Search


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MMsINC code: MMs01035937

Type: Neutral
Formula: C₁₉H₁₅NO₄S₂

SMILES:

s1c-2c(cc1C(=O)Nc1ccc(OC)cc1)CS(=O)(=O)c1c-2cccc1

InChI:

InChI=1/C19H15NO4S2/c1-24-14-8-6-13(7-9-14)20-19(21)16-10-12-11-26(22,23)17-5-3-2-4-15(17)18(12)25-16/h2-10H,11H2,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.4036 kcal/mol

Physical Properties
Molecular Weight: 385.464 g/mol	logS: -5.87019	SlogP: 4.2297	Reactive groups: 0

Topological Properties
Globularity: 0.0203758	Sterimol/B1: 2.53249	Sterimol/B2: 4.31577	Sterimol/B3: 4.44473
Sterimol/B4: 5.41641	Sterimol/L: 19.745

Surface and Volume Properties
Accessible surface: 603.478	Positive charged surface: 319.626	Negative charged surface: 283.852	Volume: 329.625
Hydrophobic surface: 483.594	Hydrophilic surface: 119.884

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.