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MMsINC code: MMs00626703

Type: Neutral
Formula: C₁₆H₂₃NOS

SMILES:

S(CC(=O)NC1CCCCC1C)c1ccc(cc1)C

InChI:

InChI=1/C16H23NOS/c1-12-7-9-14(10-8-12)19-11-16(18)17-15-6-4-3-5-13(15)2/h7-10,13,15H,3-6,11H2,1-2H3,(H,17,18)/t13-,15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.4773 kcal/mol

Physical Properties
Molecular Weight: 277.432 g/mol	logS: -4.72568	SlogP: 3.78202	Reactive groups: 0

Topological Properties
Globularity: 0.0401016	Sterimol/B1: 2.71614	Sterimol/B2: 3.87019	Sterimol/B3: 4.0647
Sterimol/B4: 4.55389	Sterimol/L: 17.9321

Surface and Volume Properties
Accessible surface: 550.917	Positive charged surface: 357.474	Negative charged surface: 193.443	Volume: 288.625
Hydrophobic surface: 461.617	Hydrophilic surface: 89.3

Pharmacophoric Properties
Hydrogen bond donors: 1	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.