MMsINC Database Search


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

MMsINC code: MMs01762144

Type: Neutral
Formula: C₂₀H₁₈N₂O₃S₂

SMILES:

S(c1ccccc1NC(=O)NS(=O)(=O)c1ccc(cc1)C)c1ccccc1

InChI:

InChI=1/C20H18N2O3S2/c1-15-11-13-17(14-12-15)27(24,25)22-20(23)21-18-9-5-6-10-19(18)26-16-7-3-2-4-8-16/h2-14H,1H3,(H2,21,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.552 kcal/mol

Physical Properties
Molecular Weight: 398.507 g/mol	logS: -6.79432	SlogP: 4.65662	Reactive groups: 0

Topological Properties
Globularity: 0.136822	Sterimol/B1: 2.35368	Sterimol/B2: 3.73466	Sterimol/B3: 5.95241
Sterimol/B4: 7.90972	Sterimol/L: 16.8564

Surface and Volume Properties
Accessible surface: 654.45	Positive charged surface: 339.711	Negative charged surface: 314.739	Volume: 356.625
Hydrophobic surface: 515.97	Hydrophilic surface: 138.48

Pharmacophoric Properties
Hydrogen bond donors: 2	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.