MMsINC Database Search


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MMsINC code: MMs00853722

Type: Neutral
Formula: C₁₄H₁₁FN₂O₂S₂

SMILES:

s1c2c(nc1C)cc(NS(=O)(=O)c1ccccc1F)cc2

InChI:

InChI=1/C14H11FN2O2S2/c1-9-16-12-8-10(6-7-13(12)20-9)17-21(18,19)14-5-3-2-4-11(14)15/h2-8,17H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.0658 kcal/mol

Physical Properties
Molecular Weight: 322.384 g/mol	logS: -4.0191	SlogP: 3.54462	Reactive groups: 0

Topological Properties
Globularity: 0.181084	Sterimol/B1: 3.67212	Sterimol/B2: 3.68337	Sterimol/B3: 4.30873
Sterimol/B4: 5.7072	Sterimol/L: 12.9962

Surface and Volume Properties
Accessible surface: 500.764	Positive charged surface: 240.682	Negative charged surface: 260.083	Volume: 264.875
Hydrophobic surface: 401.03	Hydrophilic surface: 99.734

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.