MMsINC Database Search


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MMsINC code: MMs00273992

Type: Neutral
Formula: C₁₆H₁₆FNO₂S

SMILES:

S(=O)(=O)(N1CCc2c(C1)cccc2)c1cc(C)c(F)cc1

InChI:

InChI=1/C16H16FNO2S/c1-12-10-15(6-7-16(12)17)21(19,20)18-9-8-13-4-2-3-5-14(13)11-18/h2-7,10H,8-9,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.2712 kcal/mol

Physical Properties
Molecular Weight: 305.373 g/mol	logS: -3.70566	SlogP: 3.14749	Reactive groups: 0

Topological Properties
Globularity: 0.0521034	Sterimol/B1: 2.2742	Sterimol/B2: 2.78071	Sterimol/B3: 4.37227
Sterimol/B4: 6.26071	Sterimol/L: 15.2108

Surface and Volume Properties
Accessible surface: 513.652	Positive charged surface: 279.901	Negative charged surface: 233.751	Volume: 274.375
Hydrophobic surface: 456.843	Hydrophilic surface: 56.809

Pharmacophoric Properties
Hydrogen bond donors: 0	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.