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MMsINC code: MMs02714829

Type: Neutral
Formula: C₂₀H₁₉FN₂O₃S

SMILES:

S(=O)(=O)(N)c1ccc(NCc2ccccc2OCc2ccc(F)cc2)cc1

InChI:

InChI=1/C20H19FN2O3S/c21-17-7-5-15(6-8-17)14-26-20-4-2-1-3-16(20)13-23-18-9-11-19(12-10-18)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)=58.8044 kcal/mol

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

Topological Properties
Globularity: 0.0960958	Sterimol/B1: 2.55796	Sterimol/B2: 3.71708	Sterimol/B3: 3.83468
Sterimol/B4: 11.8406	Sterimol/L: 15.5146

Surface and Volume Properties
Accessible surface: 659.007	Positive charged surface: 348.935	Negative charged surface: 310.072	Volume: 346.75
Hydrophobic surface: 504.557	Hydrophilic surface: 154.45

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

MMs02714830
PUBCHEM-ZINC00624199