MMsINC Database Search


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

MMsINC code: MMs00175350

Type: Neutral
Formula: C₁₅H₂₀Cl₂N₂O₃S

SMILES:

Clc1ccc(Cl)cc1S(=O)(=O)N1CCC(CC1)C(=O)NC(C)C

InChI:

InChI=1/C15H20Cl2N2O3S/c1-10(2)18-15(20)11-5-7-19(8-6-11)23(21,22)14-9-12(16)3-4-13(14)17/h3-4,9-11H,5-8H2,1-2H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.2223 kcal/mol

Physical Properties
Molecular Weight: 379.308 g/mol	logS: -3.90287	SlogP: 2.9187	Reactive groups: 0

Topological Properties
Globularity: 0.0680633	Sterimol/B1: 3.0117	Sterimol/B2: 4.39163	Sterimol/B3: 4.89542
Sterimol/B4: 5.05061	Sterimol/L: 17.3447

Surface and Volume Properties
Accessible surface: 581.629	Positive charged surface: 310.756	Negative charged surface: 270.873	Volume: 322.75
Hydrophobic surface: 454.482	Hydrophilic surface: 127.147

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.