MMsINC Database Search


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

MMsINC code: MMs01153112

Type: Neutral
Formula: C₂₀H₂₄FNO₄S

SMILES:

S(Oc1ccc(cc1)CN(Cc1ccc(F)cc1)C(=O)CCCC)(=O)(=O)C

InChI:

InChI=1/C20H24FNO4S/c1-3-4-5-20(23)22(14-16-6-10-18(21)11-7-16)15-17-8-12-19(13-9-17)26-27(2,24)25/h6-13H,3-5,14-15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.4454 kcal/mol

Physical Properties
Molecular Weight: 393.479 g/mol	logS: -5.00094	SlogP: 4.4159	Reactive groups: 0

Topological Properties
Globularity: 0.0626922	Sterimol/B1: 2.09174	Sterimol/B2: 3.46877	Sterimol/B3: 3.50895
Sterimol/B4: 11.63	Sterimol/L: 16.498

Surface and Volume Properties
Accessible surface: 645.407	Positive charged surface: 357.894	Negative charged surface: 287.513	Volume: 365.125
Hydrophobic surface: 508.149	Hydrophilic surface: 137.258

Pharmacophoric Properties
Hydrogen bond donors: 0	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.