MMsINC Database Search


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

MMsINC code: MMs01377023

Type: Neutral
Formula: C₁₄H₁₃ClFNO₂S

SMILES:

Clc1ccccc1S(=O)(=O)N(Cc1cc(F)ccc1)C

InChI:

InChI=1/C14H13ClFNO2S/c1-17(10-11-5-4-6-12(16)9-11)20(18,19)14-8-3-2-7-13(14)15/h2-9H,10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.963 kcal/mol

Physical Properties
Molecular Weight: 313.78 g/mol	logS: -4.09561	SlogP: 3.5662	Reactive groups: 0

Topological Properties
Globularity: 0.0659014	Sterimol/B1: 2.23844	Sterimol/B2: 3.66054	Sterimol/B3: 3.85673
Sterimol/B4: 6.24883	Sterimol/L: 14.83

Surface and Volume Properties
Accessible surface: 481.732	Positive charged surface: 236.757	Negative charged surface: 244.974	Volume: 265.5
Hydrophobic surface: 431.943	Hydrophilic surface: 49.789

Pharmacophoric Properties
Hydrogen bond donors: 0	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.