MMsINC Database Search


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

MMsINC code: MMs00636028

Type: Neutral
Formula: C₁₉H₁₅FN₂OS

SMILES:

S(Cc1ccc(cc1)C(=O)Nc1ccccc1F)c1ncccc1

InChI:

InChI=1/C19H15FN2OS/c20-16-5-1-2-6-17(16)22-19(23)15-10-8-14(9-11-15)13-24-18-7-3-4-12-21-18/h1-12H,13H2,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.8543 kcal/mol

Physical Properties
Molecular Weight: 338.406 g/mol	logS: -5.49227	SlogP: 5.0317	Reactive groups: 0

Topological Properties
Globularity: 0.0241199	Sterimol/B1: 2.98948	Sterimol/B2: 3.55694	Sterimol/B3: 3.71363
Sterimol/B4: 5.18682	Sterimol/L: 20.8328

Surface and Volume Properties
Accessible surface: 600.164	Positive charged surface: 331.458	Negative charged surface: 268.706	Volume: 315
Hydrophobic surface: 516.16	Hydrophilic surface: 84.004

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.