MMsINC Database Search


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

MMsINC code: MMs00888858

Type: Neutral
Formula: C₂₀H₁₉ClN₂O₂S

SMILES:

Clc1ccc(NC(CNS(=O)(=O)c2ccccc2)c2ccccc2)cc1

InChI:

InChI=1/C20H19ClN2O2S/c21-17-11-13-18(14-12-17)23-20(16-7-3-1-4-8-16)15-22-26(24,25)19-9-5-2-6-10-19/h1-14,20,22-23H,15H2/t20-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.0576 kcal/mol

Physical Properties
Molecular Weight: 386.903 g/mol	logS: -5.31585	SlogP: 4.5672	Reactive groups: 0

Topological Properties
Globularity: 0.15102	Sterimol/B1: 2.43864	Sterimol/B2: 3.38581	Sterimol/B3: 5.61115
Sterimol/B4: 9.36627	Sterimol/L: 16.4063

Surface and Volume Properties
Accessible surface: 644.395	Positive charged surface: 296.897	Negative charged surface: 347.498	Volume: 354.25
Hydrophobic surface: 561.855	Hydrophilic surface: 82.54

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.