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MMsINC code: MMs01521422

Type: Neutral
Formula: C₁₆H₁₇NOS

SMILES:

S(Cc1ccccc1)CC(=O)Nc1cc(ccc1)C

InChI:

InChI=1/C16H17NOS/c1-13-6-5-9-15(10-13)17-16(18)12-19-11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.7793 kcal/mol

Physical Properties
Molecular Weight: 271.384 g/mol	logS: -4.82067	SlogP: 4.13332	Reactive groups: 0

Topological Properties
Globularity: 0.0378022	Sterimol/B1: 2.70552	Sterimol/B2: 3.35827	Sterimol/B3: 3.84636
Sterimol/B4: 5.40317	Sterimol/L: 18.2252

Surface and Volume Properties
Accessible surface: 545.176	Positive charged surface: 323.405	Negative charged surface: 221.771	Volume: 273.75
Hydrophobic surface: 467.211	Hydrophilic surface: 77.965

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.