MMsINC Database Search


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MMsINC code: MMs02141046

Type: Neutral
Formula: C₁₂H₁₂FNO₂S₂

SMILES:

s1ccc(C)c1CNS(=O)(=O)c1ccc(F)cc1

InChI:

InChI=1/C12H12FNO2S2/c1-9-6-7-17-12(9)8-14-18(15,16)11-4-2-10(13)3-5-11/h2-7,14H,8H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=11.3888 kcal/mol

Physical Properties
Molecular Weight: 285.363 g/mol	logS: -3.25288	SlogP: 2.94052	Reactive groups: 0

Topological Properties
Globularity: 0.128457	Sterimol/B1: 2.3805	Sterimol/B2: 3.83955	Sterimol/B3: 4.12763
Sterimol/B4: 6.68362	Sterimol/L: 14.0444

Surface and Volume Properties
Accessible surface: 473.308	Positive charged surface: 204.805	Negative charged surface: 268.503	Volume: 240.75
Hydrophobic surface: 390.48	Hydrophilic surface: 82.828

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.