MMsINC Database Search


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MMsINC code: MMs03392368

Type: Neutral
Formula: C₂₀H₂₄FNO₅S

SMILES:

S(=O)(=O)(N(CC)CC)c1cc(C(OCCOc2ccc(cc2)C)=O)c(F)cc1

InChI:

InChI=1/C20H24FNO5S/c1-4-22(5-2)28(24,25)17-10-11-19(21)18(14-17)20(23)27-13-12-26-16-8-6-15(3)7-9-16/h6-11,14H,4-5,12-13H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.6612 kcal/mol

Physical Properties
Molecular Weight: 409.478 g/mol	logS: -4.94821	SlogP: 3.40042	Reactive groups: 0

Topological Properties
Globularity: 0.0580881	Sterimol/B1: 2.26665	Sterimol/B2: 4.23745	Sterimol/B3: 5.47222
Sterimol/B4: 7.72568	Sterimol/L: 16.8682

Surface and Volume Properties
Accessible surface: 666.613	Positive charged surface: 402.077	Negative charged surface: 264.535	Volume: 372.625
Hydrophobic surface: 539.19	Hydrophilic surface: 127.423

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.