MMsINC Database Search


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MMsINC code: MMs01243926

Type: Neutral
Formula: C₁₆H₁₂FNO₂S

SMILES:

S(=O)(=O)(Nc1ccccc1F)c1cc2c(cc1)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.9233 kcal/mol

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

Topological Properties
Globularity: 0.173929	Sterimol/B1: 2.96803	Sterimol/B2: 3.88151	Sterimol/B3: 4.54745
Sterimol/B4: 6.51257	Sterimol/L: 12.9428

Surface and Volume Properties
Accessible surface: 486.401	Positive charged surface: 223.253	Negative charged surface: 254.758	Volume: 261.5
Hydrophobic surface: 406.343	Hydrophilic surface: 80.058

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.