MMsINC Database Search


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MMsINC code: MMs00086608

Type: Neutral
Formula: C₁₁H₁₆N₂O₂S

SMILES:

S(=O)(=O)(N(C)C)N1CCc2c(C1)cccc2

InChI:

InChI=1/C11H16N2O2S/c1-12(2)16(14,15)13-8-7-10-5-3-4-6-11(10)9-13/h3-6H,7-9H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-0.832277 kcal/mol

Physical Properties
Molecular Weight: 240.327 g/mol	logS: -1.19922	SlogP: 1.11747	Reactive groups: 0

Topological Properties
Globularity: 0.0625944	Sterimol/B1: 2.55739	Sterimol/B2: 2.94258	Sterimol/B3: 3.85152
Sterimol/B4: 5.77198	Sterimol/L: 13.2367

Surface and Volume Properties
Accessible surface: 431.661	Positive charged surface: 302.889	Negative charged surface: 128.772	Volume: 223.375
Hydrophobic surface: 378.512	Hydrophilic surface: 53.149

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.