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MMsINC code: MMs02714832

Type: Neutral
Formula: C₂₀H₁₉FN₂O₃S

SMILES:

S(=O)(=O)(N)c1ccc(NCc2ccccc2OCc2ccccc2F)cc1

InChI:

InChI=1/C20H19FN2O3S/c21-19-7-3-1-6-16(19)14-26-20-8-4-2-5-15(20)13-23-17-9-11-18(12-10-17)27(22,24)25/h1-12,23H,13-14H2,(H2,22,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.7112 kcal/mol

Physical Properties
Molecular Weight: 386.447 g/mol	logS: -5.28911	SlogP: 4.197	Reactive groups: 0

Topological Properties
Globularity: 0.060929	Sterimol/B1: 2.55938	Sterimol/B2: 3.4684	Sterimol/B3: 3.92146
Sterimol/B4: 11.5721	Sterimol/L: 16.1633

Surface and Volume Properties
Accessible surface: 643.203	Positive charged surface: 333.869	Negative charged surface: 309.334	Volume: 346.75
Hydrophobic surface: 489.337	Hydrophilic surface: 153.866

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs02714833
PUBCHEM-ZINC00624201