MMsINC Database Search


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MMsINC code: MMs02627495

Type: Neutral
Formula: C₁₀H₁₆N₂O₂S

SMILES:

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

InChI:

InChI=1/C10H16N2O2S/c1-9(10-7-5-4-6-8-10)11-15(13,14)12(2)3/h4-9,11H,1-3H3/t9-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-12.0683 kcal/mol

Physical Properties
Molecular Weight: 228.316 g/mol	logS: -1.26698	SlogP: 1.2391	Reactive groups: 0

Topological Properties
Globularity: 0.110086	Sterimol/B1: 2.01471	Sterimol/B2: 3.21819	Sterimol/B3: 4.22081
Sterimol/B4: 5.63289	Sterimol/L: 13.2314

Surface and Volume Properties
Accessible surface: 435.402	Positive charged surface: 275.384	Negative charged surface: 160.018	Volume: 215.625
Hydrophobic surface: 344.921	Hydrophilic surface: 90.481

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.