MMsINC Database Search


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

MMsINC code: MMs00240311

Type: Neutral
Formula: C₂₀H₂₃FN₂O₂S

SMILES:

s1c(ccc1C)C(=O)N(CC(=O)NC1CCCCC1)c1ccccc1F

InChI:

InChI=1/C20H23FN2O2S/c1-14-11-12-18(26-14)20(25)23(17-10-6-5-9-16(17)21)13-19(24)22-15-7-3-2-4-8-15/h5-6,9-12,15H,2-4,7-8,13H2,1H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.024 kcal/mol

Physical Properties
Molecular Weight: 374.48 g/mol	logS: -5.30763	SlogP: 4.29132	Reactive groups: 0

Topological Properties
Globularity: 0.0856031	Sterimol/B1: 2.82375	Sterimol/B2: 3.81133	Sterimol/B3: 5.28494
Sterimol/B4: 6.59224	Sterimol/L: 17.2791

Surface and Volume Properties
Accessible surface: 615.165	Positive charged surface: 409.966	Negative charged surface: 205.199	Volume: 348.875
Hydrophobic surface: 559.344	Hydrophilic surface: 55.821

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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.