MMsINC Database Search


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

MMsINC code: MMs00272985

Type: Neutral
Formula: C₁₈H₁₄FNO₂S

SMILES:

S(=O)(=O)(Nc1ccc(F)cc1)c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C18H14FNO2S/c19-16-8-10-17(11-9-16)20-23(21,22)18-12-6-15(7-13-18)14-4-2-1-3-5-14/h1-13,20H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.775 kcal/mol

Physical Properties
Molecular Weight: 327.379 g/mol	logS: -5.76808	SlogP: 4.2935	Reactive groups: 0

Topological Properties
Globularity: 0.0985602	Sterimol/B1: 3.61818	Sterimol/B2: 4.04234	Sterimol/B3: 4.29448
Sterimol/B4: 6.447	Sterimol/L: 14.9938

Surface and Volume Properties
Accessible surface: 529.958	Positive charged surface: 246.613	Negative charged surface: 273.454	Volume: 294.375
Hydrophobic surface: 446.809	Hydrophilic surface: 83.149

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.