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MMsINC code: MMs03263531

Type: Neutral
Formula: C₉H₁₄N₂O₂S

SMILES:

S(=O)(=O)(N)c1cc(N(C)C)c(cc1)C

InChI:

InChI=1/C9H14N2O2S/c1-7-4-5-8(14(10,12)13)6-9(7)11(2)3/h4-6H,1-3H3,(H2,10,12,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.1051 kcal/mol

Physical Properties
Molecular Weight: 214.289 g/mol	logS: -1.69937	SlogP: 0.70842	Reactive groups: 0

Topological Properties
Globularity: 0.174807	Sterimol/B1: 2.71967	Sterimol/B2: 3.36386	Sterimol/B3: 3.76192
Sterimol/B4: 5.80886	Sterimol/L: 10.4829

Surface and Volume Properties
Accessible surface: 410.042	Positive charged surface: 273.357	Negative charged surface: 136.685	Volume: 195.875
Hydrophobic surface: 279.243	Hydrophilic surface: 130.799

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs03263532
PUBCHEM-ZINC05419911