MMsINC Database Search


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MMsINC code: MMs02524796

Type: Neutral
Formula: C₁₃H₁₂FNO₂S₂

SMILES:

S(C)c1ccc(S(=O)(=O)Nc2cc(F)ccc2)cc1

InChI:

InChI=1/C13H12FNO2S2/c1-18-12-5-7-13(8-6-12)19(16,17)15-11-4-2-3-10(14)9-11/h2-9,15H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.5709 kcal/mol

Physical Properties
Molecular Weight: 297.374 g/mol	logS: -4.3631	SlogP: 3.3484	Reactive groups: 0

Topological Properties
Globularity: 0.129579	Sterimol/B1: 3.12112	Sterimol/B2: 3.47422	Sterimol/B3: 4.24405
Sterimol/B4: 6.34835	Sterimol/L: 14.2389

Surface and Volume Properties
Accessible surface: 481.329	Positive charged surface: 224.729	Negative charged surface: 256.6	Volume: 252.875
Hydrophobic surface: 358.332	Hydrophilic surface: 122.997

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.