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MMsINC code: MMs02913053

Type: Neutral
Formula: C₁₅H₂₁NOS

SMILES:

s1cccc1\C=C\C(=O)NC1CCCCCCC1

InChI:

InChI=1/C15H21NOS/c17-15(11-10-14-9-6-12-18-14)16-13-7-4-2-1-3-5-8-13/h6,9-13H,1-5,7-8H2,(H,16,17)/b11-10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.9561 kcal/mol

Physical Properties
Molecular Weight: 263.405 g/mol	logS: -4.34508	SlogP: 3.9904	Reactive groups: 0

Topological Properties
Globularity: 0.0664329	Sterimol/B1: 3.11185	Sterimol/B2: 3.6662	Sterimol/B3: 4.0899
Sterimol/B4: 4.39082	Sterimol/L: 15.9528

Surface and Volume Properties
Accessible surface: 505.178	Positive charged surface: 296.285	Negative charged surface: 208.893	Volume: 266.375
Hydrophobic surface: 464.462	Hydrophilic surface: 40.716

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.