MMsINC Database Search


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

MMsINC code: MMs00523314

Type: Neutral
Formula: C₂₀H₁₇FN₂O₂S

SMILES:

S1(=O)(=O)N(Cc2ccccc2)C(Nc2c1cccc2)c1ccccc1F

InChI:

InChI=1/C20H17FN2O2S/c21-17-11-5-4-10-16(17)20-22-18-12-6-7-13-19(18)26(24,25)23(20)14-15-8-2-1-3-9-15/h1-13,20,22H,14H2/t20-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.012 kcal/mol

Physical Properties
Molecular Weight: 368.432 g/mol	logS: -4.95525	SlogP: 4.5028	Reactive groups: 0

Topological Properties
Globularity: 0.195316	Sterimol/B1: 3.48006	Sterimol/B2: 4.12549	Sterimol/B3: 4.49122
Sterimol/B4: 6.10995	Sterimol/L: 14.8994

Surface and Volume Properties
Accessible surface: 545.692	Positive charged surface: 304.361	Negative charged surface: 241.331	Volume: 328.75
Hydrophobic surface: 479.492	Hydrophilic surface: 66.2

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.