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MMsINC code: MMs00632675

Type: Neutral
Formula: C₁₆H₁₇NOS

SMILES:

S(CC(=O)Nc1cccc(C)c1C)c1ccccc1

InChI:

InChI=1/C16H17NOS/c1-12-7-6-10-15(13(12)2)17-16(18)11-19-14-8-4-3-5-9-14/h3-10H,11H2,1-2H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.9836 kcal/mol

Physical Properties
Molecular Weight: 271.384 g/mol	logS: -5.0371	SlogP: 4.03424	Reactive groups: 0

Topological Properties
Globularity: 0.0131091	Sterimol/B1: 2.35934	Sterimol/B2: 2.81413	Sterimol/B3: 3.10522
Sterimol/B4: 5.63047	Sterimol/L: 17.2089

Surface and Volume Properties
Accessible surface: 518.46	Positive charged surface: 289.873	Negative charged surface: 228.587	Volume: 272.375
Hydrophobic surface: 451.546	Hydrophilic surface: 66.914

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