MMsINC Database Search


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MMsINC code: MMs02651714

Type: Neutral
Formula: C₁₆H₁₂FNO₂S

SMILES:

S(=O)(=O)(Nc1ccc(F)cc1)c1cc2c(cc1)cccc2

InChI:

InChI=1/C16H12FNO2S/c17-14-6-8-15(9-7-14)18-21(19,20)16-10-5-12-3-1-2-4-13(12)11-16/h1-11,18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.8246 kcal/mol

Physical Properties
Molecular Weight: 301.341 g/mol	logS: -5.21958	SlogP: 3.7797	Reactive groups: 0

Topological Properties
Globularity: 0.167738	Sterimol/B1: 3.74365	Sterimol/B2: 3.84624	Sterimol/B3: 4.20989
Sterimol/B4: 6.71564	Sterimol/L: 12.6443

Surface and Volume Properties
Accessible surface: 493.296	Positive charged surface: 234.247	Negative charged surface: 249.321	Volume: 264
Hydrophobic surface: 412.141	Hydrophilic surface: 81.155

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.