MMsINC Database Search


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

MMsINC code: MMs02609706

Type: Neutral
Formula: C₁₉H₁₄F₃NO₂S

SMILES:

s1cc(cc1C(=O)Nc1cc(ccc1)C(F)(F)F)-c1ccc(OC)cc1

InChI:

InChI=1/C19H14F3NO2S/c1-25-16-7-5-12(6-8-16)13-9-17(26-11-13)18(24)23-15-4-2-3-14(10-15)19(20,21)22/h2-11H,1H3,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.9373 kcal/mol

Physical Properties
Molecular Weight: 377.386 g/mol	logS: -6.69485	SlogP: 6.0063	Reactive groups: 0

Topological Properties
Globularity: 0.0144732	Sterimol/B1: 2.89396	Sterimol/B2: 3.29675	Sterimol/B3: 3.34171
Sterimol/B4: 6.40111	Sterimol/L: 20.2591

Surface and Volume Properties
Accessible surface: 612.031	Positive charged surface: 268.169	Negative charged surface: 343.862	Volume: 320.625
Hydrophobic surface: 457.221	Hydrophilic surface: 154.81

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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.