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MMsINC code: MMs02494199

Type: Neutral
Formula: C₁₄H₁₇NOS

SMILES:

S1(=O)(N(C)C)=[CH]C(=CC(=C1)C)c1ccccc1

InChI:

InChI=1/C14H17NOS/c1-12-9-14(13-7-5-4-6-8-13)11-17(16,10-12)15(2)3/h4-11H,1-3H3/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.6815 kcal/mol

Physical Properties
Molecular Weight: 247.362 g/mol	logS: -2.19689	SlogP: 2.91019	Reactive groups: 0

Topological Properties
Globularity: 0.108881	Sterimol/B1: 2.16722	Sterimol/B2: 2.83846	Sterimol/B3: 4.65375
Sterimol/B4: 8.25541	Sterimol/L: 13.1718

Surface and Volume Properties
Accessible surface: 482.293	Positive charged surface: 314.472	Negative charged surface: 167.821	Volume: 248
Hydrophobic surface: 442.971	Hydrophilic surface: 39.322

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

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.