MMsINC Database Search


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

MMsINC code: MMs02764237

Type: Neutral
Formula: C₂₁H₂₀FNO₂S

SMILES:

S(=O)(=O)(N(Cc1ccccc1F)c1cccc(C)c1C)c1ccccc1

InChI:

InChI=1/C21H20FNO2S/c1-16-9-8-14-21(17(16)2)23(15-18-10-6-7-13-20(18)22)26(24,25)19-11-4-3-5-12-19/h3-14H,15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.823 kcal/mol

Physical Properties
Molecular Weight: 369.46 g/mol	logS: -5.81957	SlogP: 5.10444	Reactive groups: 0

Topological Properties
Globularity: 0.116288	Sterimol/B1: 2.83242	Sterimol/B2: 3.2092	Sterimol/B3: 4.34225
Sterimol/B4: 9.35076	Sterimol/L: 14.4999

Surface and Volume Properties
Accessible surface: 565.43	Positive charged surface: 308.618	Negative charged surface: 256.812	Volume: 344
Hydrophobic surface: 520.464	Hydrophilic surface: 44.966

Pharmacophoric Properties
Hydrogen bond donors: 0	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.