MMsINC Database Search


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

MMsINC code: MMs00222811

Type: Neutral
Formula: C₂₀H₂₂FNO₄S

SMILES:

S(=O)(=O)(N(Cc1ccc(F)cc1)C1CCCCC1)c1ccc(cc1)C(O)=O

InChI:

InChI=1/C20H22FNO4S/c21-17-10-6-15(7-11-17)14-22(18-4-2-1-3-5-18)27(25,26)19-12-8-16(9-13-19)20(23)24/h6-13,18H,1-5,14H2,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.1744 kcal/mol

Physical Properties
Molecular Weight: 391.463 g/mol	logS: -4.80186	SlogP: 4.3139	Reactive groups: 0

Topological Properties
Globularity: 0.102344	Sterimol/B1: 2.27996	Sterimol/B2: 4.74564	Sterimol/B3: 5.35142
Sterimol/B4: 6.92882	Sterimol/L: 16.6473

Surface and Volume Properties
Accessible surface: 592.225	Positive charged surface: 335.881	Negative charged surface: 256.344	Volume: 351.375
Hydrophobic surface: 447.32	Hydrophilic surface: 144.905

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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

MMs00222812
ASINEX-ZINC00924353