MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00167044

Type: Neutral
Formula: C₁₉H₁₈N₂O₃S₂

SMILES:

s1cccc1C(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2)C)cc1

InChI:

InChI=1/C19H18N2O3S2/c1-21(14-15-6-3-2-4-7-15)26(23,24)17-11-9-16(10-12-17)20-19(22)18-8-5-13-25-18/h2-13H,14H2,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.3162 kcal/mol

Physical Properties
Molecular Weight: 386.496 g/mol	logS: -4.843	SlogP: 4.0875	Reactive groups: 0

Topological Properties
Globularity: 0.0372199	Sterimol/B1: 1.969	Sterimol/B2: 3.64833	Sterimol/B3: 4.0845
Sterimol/B4: 6.14209	Sterimol/L: 20.7343

Surface and Volume Properties
Accessible surface: 622.191	Positive charged surface: 319.9	Negative charged surface: 302.291	Volume: 347.5
Hydrophobic surface: 530.387	Hydrophilic surface: 91.804

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.