MMsINC Database Search


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

MMsINC code: MMs01153220

Type: Neutral
Formula: C₂₀H₂₄FNO₄S

SMILES:

S(Oc1ccc(cc1)CN(C(=O)c1ccc(F)cc1)C(CC)C)(=O)(=O)CC

InChI:

InChI=1/C20H24FNO4S/c1-4-15(3)22(20(23)17-8-10-18(21)11-9-17)14-16-6-12-19(13-7-16)26-27(24,25)5-2/h6-13,15H,4-5,14H2,1-3H3/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=377.082 kcal/mol

Physical Properties
Molecular Weight: 393.479 g/mol	logS: -4.94477	SlogP: 4.2615	Reactive groups: 1

Topological Properties
Globularity: 0.115124	Sterimol/B1: 2.55522	Sterimol/B2: 2.66932	Sterimol/B3: 5.86926
Sterimol/B4: 6.70317	Sterimol/L: 16.6947

Surface and Volume Properties
Accessible surface: 600.313	Positive charged surface: 337.229	Negative charged surface: 263.084	Volume: 350.125
Hydrophobic surface: 445.931	Hydrophilic surface: 154.382

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.