MMsINC Database Search


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

MMsINC code: MMs00244886

Type: Neutral
Formula: C₂₀H₂₃FN₂O₄S

SMILES:

S(=O)(=O)(N1CCC(CC1)C(=O)NCc1ccc(F)cc1)c1ccc(OC)cc1

InChI:

InChI=1/C20H23FN2O4S/c1-27-18-6-8-19(9-7-18)28(25,26)23-12-10-16(11-13-23)20(24)22-14-15-2-4-17(21)5-3-15/h2-9,16H,10-14H2,1H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.8979 kcal/mol

Physical Properties
Molecular Weight: 406.478 g/mol	logS: -3.89313	SlogP: 2.8178	Reactive groups: 0

Topological Properties
Globularity: 0.107347	Sterimol/B1: 2.53726	Sterimol/B2: 3.15877	Sterimol/B3: 5.2368
Sterimol/B4: 8.72958	Sterimol/L: 17.9126

Surface and Volume Properties
Accessible surface: 658.003	Positive charged surface: 410.88	Negative charged surface: 247.123	Volume: 366.125
Hydrophobic surface: 548.421	Hydrophilic surface: 109.582

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.