MMsINC Database Search


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MMsINC code: MMs02295446

Type: Neutral
Formula: C₁₄H₂₃NO₂S

SMILES:

S(=O)(=O)(N(CC(C)C)CC(C)C)c1ccccc1

InChI:

InChI=1/C14H23NO2S/c1-12(2)10-15(11-13(3)4)18(16,17)14-8-6-5-7-9-14/h5-9,12-13H,10-11H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.7893 kcal/mol

Physical Properties
Molecular Weight: 269.409 g/mol	logS: -2.75994	SlogP: 2.9893	Reactive groups: 0

Topological Properties
Globularity: 0.159981	Sterimol/B1: 2.47435	Sterimol/B2: 3.6451	Sterimol/B3: 5.24734
Sterimol/B4: 6.45064	Sterimol/L: 12.8728

Surface and Volume Properties
Accessible surface: 485.726	Positive charged surface: 298.883	Negative charged surface: 186.844	Volume: 274.75
Hydrophobic surface: 365.409	Hydrophilic surface: 120.317

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.