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MMsINC code: MMs02982758

Type: Neutral
Formula: C₂₃H₁₆FNO₃S

SMILES:

S\1c2c(N(Cc3ccccc3F)C(=O)/C/1=C/c1ccc(cc1)C(O)=O)cccc2

InChI:

InChI=1/C23H16FNO3S/c24-18-6-2-1-5-17(18)14-25-19-7-3-4-8-20(19)29-21(22(25)26)13-15-9-11-16(12-10-15)23(27)28/h1-13H,14H2,(H,27,28)/b21-13+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.663 kcal/mol

Physical Properties
Molecular Weight: 405.449 g/mol	logS: -6.42706	SlogP: 5.4703	Reactive groups: 0

Topological Properties
Globularity: 0.154093	Sterimol/B1: 3.09442	Sterimol/B2: 4.1921	Sterimol/B3: 4.34609
Sterimol/B4: 8.29407	Sterimol/L: 15.8439

Surface and Volume Properties
Accessible surface: 621.445	Positive charged surface: 320.111	Negative charged surface: 301.334	Volume: 363.375
Hydrophobic surface: 474.515	Hydrophilic surface: 146.93

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02982759
PUBCHEM-ZINC03029438