MMsINC Database Search


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MMsINC code: MMs00021665

Type: Neutral
Formula: C₁₄H₂₃NO₂S

SMILES:

S(=O)(=O)(N(CCCC)CCCC)c1ccccc1

InChI:

InChI=1/C14H23NO2S/c1-3-5-12-15(13-6-4-2)18(16,17)14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=15.6485 kcal/mol

Physical Properties
Molecular Weight: 269.409 g/mol	logS: -3.38684	SlogP: 3.2775	Reactive groups: 0

Topological Properties
Globularity: 0.126902	Sterimol/B1: 2.49906	Sterimol/B2: 2.51114	Sterimol/B3: 5.46626
Sterimol/B4: 9.09975	Sterimol/L: 13.9791

Surface and Volume Properties
Accessible surface: 520.48	Positive charged surface: 337.227	Negative charged surface: 183.253	Volume: 277.125
Hydrophobic surface: 423.957	Hydrophilic surface: 96.523

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.