MMsINC Database Search


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

MMsINC code: MMs01364138

Type: Neutral
Formula: C₁₈H₁₄FNO₂S

SMILES:

S(=O)(=O)(Nc1ccccc1-c1ccccc1)c1ccccc1F

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.6293 kcal/mol

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

Topological Properties
Globularity: 0.44843	Sterimol/B1: 2.097	Sterimol/B2: 4.39923	Sterimol/B3: 4.79723
Sterimol/B4: 7.69979	Sterimol/L: 11.9659

Surface and Volume Properties
Accessible surface: 494.068	Positive charged surface: 261.404	Negative charged surface: 230.207	Volume: 294.25
Hydrophobic surface: 424.215	Hydrophilic surface: 69.853

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.