MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00731419

Type: Neutral
Formula: C₁₅H₂₃NO₂

SMILES:

O(C(C)C)CCCNC(=O)c1cc(C)c(cc1)C

InChI:

InChI=1/C15H23NO2/c1-11(2)18-9-5-8-16-15(17)14-7-6-12(3)13(4)10-14/h6-7,10-11H,5,8-9H2,1-4H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.6186 kcal/mol

Physical Properties
Molecular Weight: 249.354 g/mol	logS: -3.47768	SlogP: 2.84834	Reactive groups: 0

Topological Properties
Globularity: 0.0231157	Sterimol/B1: 2.68015	Sterimol/B2: 3.14373	Sterimol/B3: 3.4832
Sterimol/B4: 5.44655	Sterimol/L: 18.0313

Surface and Volume Properties
Accessible surface: 554.94	Positive charged surface: 376.822	Negative charged surface: 178.118	Volume: 270.125
Hydrophobic surface: 465.414	Hydrophilic surface: 89.526

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.