MMsINC Database Search


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

MMsINC code: MMs02914711

Type: Neutral
Formula: C₁₅H₁₅Cl₂NO₃S

SMILES:

Clc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)CCO

InChI:

InChI=1/C15H15Cl2NO3S/c16-13-6-7-14(17)15(10-13)22(20,21)18(8-9-19)11-12-4-2-1-3-5-12/h1-7,10,19H,8-9,11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.8142 kcal/mol

Physical Properties
Molecular Weight: 360.261 g/mol	logS: -4.33238	SlogP: 3.443	Reactive groups: 0

Topological Properties
Globularity: 0.112257	Sterimol/B1: 4.14967	Sterimol/B2: 4.33522	Sterimol/B3: 4.34985
Sterimol/B4: 5.3164	Sterimol/L: 15.0962

Surface and Volume Properties
Accessible surface: 525.678	Positive charged surface: 255.721	Negative charged surface: 269.957	Volume: 302
Hydrophobic surface: 449.153	Hydrophilic surface: 76.525

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.