MMsINC Database Search


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MMsINC code: MMs01202164

Type: Neutral
Formula: C₂₀H₂₄FNO₄S

SMILES:

S(Oc1ccc(cc1)CN(C(=O)c1ccccc1F)C(C)C)(=O)(=O)C(C)C

InChI:

InChI=1/C20H24FNO4S/c1-14(2)22(20(23)18-7-5-6-8-19(18)21)13-16-9-11-17(12-10-16)26-27(24,25)15(3)4/h5-12,14-15H,13H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=262.875 kcal/mol

Physical Properties
Molecular Weight: 393.479 g/mol	logS: -5.07021	SlogP: 4.2599	Reactive groups: 0

Topological Properties
Globularity: 0.123602	Sterimol/B1: 2.14856	Sterimol/B2: 4.28684	Sterimol/B3: 4.32453
Sterimol/B4: 7.494	Sterimol/L: 15.8304

Surface and Volume Properties
Accessible surface: 603.708	Positive charged surface: 335.422	Negative charged surface: 268.286	Volume: 354.875
Hydrophobic surface: 434.257	Hydrophilic surface: 169.451

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

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Ions/Tautomers related molecules: no related molecules available.