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MMsINC code: MMs01309931

Type: Neutral
Formula: C₂₃H₂₃FN₂O₄S

SMILES:

S(=O)(=O)(Nc1ccccc1C(=O)N(Cc1ccccc1)CCO)c1ccc(F)cc1C

InChI:

InChI=1/C23H23FN2O4S/c1-17-15-19(24)11-12-22(17)31(29,30)25-21-10-6-5-9-20(21)23(28)26(13-14-27)16-18-7-3-2-4-8-18/h2-12,15,25,27H,13-14,16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.156 kcal/mol

Physical Properties
Molecular Weight: 442.511 g/mol	logS: -5.10767	SlogP: 3.83602	Reactive groups: 0

Topological Properties
Globularity: 0.12748	Sterimol/B1: 3.35838	Sterimol/B2: 3.8968	Sterimol/B3: 5.5091
Sterimol/B4: 6.52292	Sterimol/L: 18.1225

Surface and Volume Properties
Accessible surface: 674.658	Positive charged surface: 367.441	Negative charged surface: 307.217	Volume: 397.5
Hydrophobic surface: 542.582	Hydrophilic surface: 132.076

Pharmacophoric Properties
Hydrogen bond donors: 2	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.