MMsINC Database Search


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MMsINC code: MMs01337636

Type: Neutral
Formula: C₁₂H₁₅F₂NO₂S

SMILES:

S(=O)(=O)(N1CCCCCC1)c1ccc(F)cc1F

InChI:

InChI=1/C12H15F2NO2S/c13-10-5-6-12(11(14)9-10)18(16,17)15-7-3-1-2-4-8-15/h5-6,9H,1-4,7-8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=25.7321 kcal/mol

Physical Properties
Molecular Weight: 275.319 g/mol	logS: -2.84432	SlogP: 2.5295	Reactive groups: 0

Topological Properties
Globularity: 0.0948152	Sterimol/B1: 2.8611	Sterimol/B2: 3.19197	Sterimol/B3: 4.14582
Sterimol/B4: 5.10686	Sterimol/L: 13.2648

Surface and Volume Properties
Accessible surface: 434.249	Positive charged surface: 252.317	Negative charged surface: 181.932	Volume: 232.25
Hydrophobic surface: 388.234	Hydrophilic surface: 46.015

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.