MMsINC Database Search


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MMsINC code: MMs00490990

Type: Neutral
Formula: C₁₂H₁₂FNO₂S₂

SMILES:

s1c(C)c(S(=O)(=O)Nc2ccc(F)cc2)cc1C

InChI:

InChI=1/C12H12FNO2S2/c1-8-7-12(9(2)17-8)18(15,16)14-11-5-3-10(13)4-6-11/h3-7,14H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.213 kcal/mol

Physical Properties
Molecular Weight: 285.363 g/mol	logS: -3.62223	SlogP: 3.30484	Reactive groups: 0

Topological Properties
Globularity: 0.282939	Sterimol/B1: 2.23103	Sterimol/B2: 3.45688	Sterimol/B3: 4.94202
Sterimol/B4: 7.15229	Sterimol/L: 11.3022

Surface and Volume Properties
Accessible surface: 458.976	Positive charged surface: 210.853	Negative charged surface: 248.124	Volume: 239.125
Hydrophobic surface: 383.798	Hydrophilic surface: 75.178

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.