MMsINC Database Search


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

MMsINC code: MMs02058435

Type: Neutral
Formula: C₁₉H₁₆FNO₄S

SMILES:

S(=O)(=O)(C(CNC(=O)c1ccccc1)c1occc1)c1ccc(F)cc1

InChI:

InChI=1/C19H16FNO4S/c20-15-8-10-16(11-9-15)26(23,24)18(17-7-4-12-25-17)13-21-19(22)14-5-2-1-3-6-14/h1-12,18H,13H2,(H,21,22)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.5588 kcal/mol

Physical Properties
Molecular Weight: 373.404 g/mol	logS: -5.28049	SlogP: 3.4592	Reactive groups: 0

Topological Properties
Globularity: 0.0507994	Sterimol/B1: 3.80391	Sterimol/B2: 4.01626	Sterimol/B3: 4.07146
Sterimol/B4: 6.48775	Sterimol/L: 16.4993

Surface and Volume Properties
Accessible surface: 593.099	Positive charged surface: 286.399	Negative charged surface: 306.699	Volume: 326.875
Hydrophobic surface: 508.261	Hydrophilic surface: 84.838

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.