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MMsINC code: MMs01619911

Type: Neutral
Formula: C₁₂H₂₀N₂O₂S

SMILES:

S(=O)(=O)(NC(CN(C)C)(C)C)c1ccccc1

InChI:

InChI=1/C12H20N2O2S/c1-12(2,10-14(3)4)13-17(15,16)11-8-6-5-7-9-11/h5-9,13H,10H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.7764 kcal/mol

Physical Properties
Molecular Weight: 256.37 g/mol	logS: -1.77517	SlogP: 1.3051	Reactive groups: 0

Topological Properties
Globularity: 0.194708	Sterimol/B1: 2.80442	Sterimol/B2: 3.63929	Sterimol/B3: 4.02318
Sterimol/B4: 5.71821	Sterimol/L: 13.6075

Surface and Volume Properties
Accessible surface: 449.589	Positive charged surface: 307.777	Negative charged surface: 141.812	Volume: 247.25
Hydrophobic surface: 366.137	Hydrophilic surface: 83.452

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

MMs01619912
ENAMINE-ZINC05523811