MMsINC Database Search


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

MMsINC code: MMs02687608

Type: Neutral
Formula: C₁₁H₉FN₂O₂S

SMILES:

S(=O)(=O)(Nc1cccnc1)c1ccccc1F

InChI:

InChI=1/C11H9FN2O2S/c12-10-5-1-2-6-11(10)17(15,16)14-9-4-3-7-13-8-9/h1-8,14H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.1827 kcal/mol

Physical Properties
Molecular Weight: 252.269 g/mol	logS: -2.08356	SlogP: 2.0215	Reactive groups: 0

Topological Properties
Globularity: 0.304234	Sterimol/B1: 2.41555	Sterimol/B2: 3.5166	Sterimol/B3: 3.9509
Sterimol/B4: 6.44463	Sterimol/L: 10.7453

Surface and Volume Properties
Accessible surface: 414.275	Positive charged surface: 225.766	Negative charged surface: 188.509	Volume: 210.25
Hydrophobic surface: 320.955	Hydrophilic surface: 93.32

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.