MMsINC Database Search


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MMsINC code: MMs02376817

Type: Neutral
Formula: C₁₁H₁₇NO₂S

SMILES:

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

InChI:

InChI=1/C11H17NO2S/c1-11(2,15(13,14)12(3)4)10-8-6-5-7-9-10/h5-9H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.0868 kcal/mol

Physical Properties
Molecular Weight: 227.328 g/mol	logS: -1.8969	SlogP: 2.1246	Reactive groups: 0

Topological Properties
Globularity: 0.180219	Sterimol/B1: 2.37308	Sterimol/B2: 2.40238	Sterimol/B3: 4.87613
Sterimol/B4: 5.36623	Sterimol/L: 12.3033

Surface and Volume Properties
Accessible surface: 417.798	Positive charged surface: 267.893	Negative charged surface: 149.905	Volume: 221.875
Hydrophobic surface: 342.594	Hydrophilic surface: 75.204

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.