MMsINC Database Search


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

MMsINC code: MMs02139374

Type: Neutral
Formula: C₁₄H₁₂ClF₂NO₂S

SMILES:

Clc1cc(NS(=O)(=O)c2cc(C)c(F)c(c2)C)ccc1F

InChI:

InChI=1/C14H12ClF2NO2S/c1-8-5-11(6-9(2)14(8)17)21(19,20)18-10-3-4-13(16)12(15)7-10/h3-7,18H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.6119 kcal/mol

Physical Properties
Molecular Weight: 331.77 g/mol	logS: -4.69191	SlogP: 4.03584	Reactive groups: 0

Topological Properties
Globularity: 0.218681	Sterimol/B1: 2.03533	Sterimol/B2: 3.42582	Sterimol/B3: 5.29954
Sterimol/B4: 7.86069	Sterimol/L: 13.815

Surface and Volume Properties
Accessible surface: 509.439	Positive charged surface: 229.932	Negative charged surface: 279.506	Volume: 268.375
Hydrophobic surface: 426.128	Hydrophilic surface: 83.311

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.