MMsINC Database Search


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

MMsINC code: MMs01683045

Type: Neutral
Formula: C₁₇H₁₄FNO₂S

SMILES:

S(=O)(=O)(Nc1cc(F)ccc1C)c1cc2c(cc1)cccc2

InChI:

InChI=1/C17H14FNO2S/c1-12-6-8-15(18)11-17(12)19-22(20,21)16-9-7-13-4-2-3-5-14(13)10-16/h2-11,19H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.3485 kcal/mol

Physical Properties
Molecular Weight: 315.368 g/mol	logS: -5.38005	SlogP: 4.08812	Reactive groups: 0

Topological Properties
Globularity: 0.230955	Sterimol/B1: 2.52242	Sterimol/B2: 3.93089	Sterimol/B3: 6.02359
Sterimol/B4: 6.56116	Sterimol/L: 12.6887

Surface and Volume Properties
Accessible surface: 508.905	Positive charged surface: 233.9	Negative charged surface: 263.612	Volume: 279.125
Hydrophobic surface: 434.593	Hydrophilic surface: 74.312

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.