MMsINC Database Search


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

MMsINC code: MMs00152189

Type: Neutral
Formula: C₁₇H₁₆Cl₂N₂O₄S

SMILES:

Clc1cc(Cl)c(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccccc1

InChI:

InChI=1/C17H16Cl2N2O4S/c18-14-11-15(19)16(26(23,24)21-6-8-25-9-7-21)10-13(14)17(22)20-12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.9811 kcal/mol

Physical Properties
Molecular Weight: 415.297 g/mol	logS: -5.02849	SlogP: 3.2666	Reactive groups: 0

Topological Properties
Globularity: 0.0567101	Sterimol/B1: 3.20688	Sterimol/B2: 3.39564	Sterimol/B3: 4.50408
Sterimol/B4: 7.28957	Sterimol/L: 17.5413

Surface and Volume Properties
Accessible surface: 595.154	Positive charged surface: 317.296	Negative charged surface: 277.858	Volume: 338.125
Hydrophobic surface: 500.905	Hydrophilic surface: 94.249

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.