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MMsINC code: MMs00841867

Type: Neutral
Formula: C₁₃H₁₀FNO₂S

SMILES:

S(Cc1cc(F)ccc1)c1ncccc1C(O)=O

InChI:

InChI=1/C13H10FNO2S/c14-10-4-1-3-9(7-10)8-18-12-11(13(16)17)5-2-6-15-12/h1-7H,8H2,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.9964 kcal/mol

Physical Properties
Molecular Weight: 263.292 g/mol	logS: -3.49168	SlogP: 3.4776	Reactive groups: 0

Topological Properties
Globularity: 0.0767247	Sterimol/B1: 2.42324	Sterimol/B2: 4.86816	Sterimol/B3: 4.89921
Sterimol/B4: 5.05817	Sterimol/L: 14.1101

Surface and Volume Properties
Accessible surface: 467.683	Positive charged surface: 269.41	Negative charged surface: 198.273	Volume: 231.25
Hydrophobic surface: 346.136	Hydrophilic surface: 121.547

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

MMs00841868
CHEMDIV-ZINC00216093