MMsINC Database Search


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

MMsINC code: MMs00444746

Type: Neutral
Formula: C₁₈H₁₅ClN₂O₃S₂

SMILES:

Clc1ccccc1NC(=O)c1scc(S(=O)(=O)N(C)c2ccccc2)c1

InChI:

InChI=1/C18H15ClN2O3S2/c1-21(13-7-3-2-4-8-13)26(23,24)14-11-17(25-12-14)18(22)20-16-10-6-5-9-15(16)19/h2-12H,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.112 kcal/mol

Physical Properties
Molecular Weight: 406.914 g/mol	logS: -5.63325	SlogP: 4.4789	Reactive groups: 0

Topological Properties
Globularity: 0.0652754	Sterimol/B1: 3.60573	Sterimol/B2: 3.61368	Sterimol/B3: 5.04373
Sterimol/B4: 7.54632	Sterimol/L: 16.2702

Surface and Volume Properties
Accessible surface: 609.543	Positive charged surface: 267.416	Negative charged surface: 342.127	Volume: 344.25
Hydrophobic surface: 519.661	Hydrophilic surface: 89.882

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.