MMsINC Database Search


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MMsINC code: MMs00840342

Type: Neutral
Formula: C₁₄H₁₁FN₂O₂S₂

SMILES:

s1c2c(nc1C)cc(NS(=O)(=O)c1cc(F)ccc1)cc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.3888 kcal/mol

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

Topological Properties
Globularity: 0.169266	Sterimol/B1: 3.21877	Sterimol/B2: 3.59991	Sterimol/B3: 4.43237
Sterimol/B4: 5.77881	Sterimol/L: 13.2977

Surface and Volume Properties
Accessible surface: 506.98	Positive charged surface: 241.141	Negative charged surface: 265.84	Volume: 263
Hydrophobic surface: 404.174	Hydrophilic surface: 102.806

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.