MMsINC Database Search


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

MMsINC code: MMs03001859

Type: Neutral
Formula: C₁₉H₂₃NO₂

SMILES:

O(C)c1ccc(cc1)C(=O)N(Cc1ccccc1)C(C)(C)C

InChI:

InChI=1/C19H23NO2/c1-19(2,3)20(14-15-8-6-5-7-9-15)18(21)16-10-12-17(22-4)13-11-16/h5-13H,14H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=300.782 kcal/mol

Physical Properties
Molecular Weight: 297.398 g/mol	logS: -4.22493	SlogP: 4.4025	Reactive groups: 0

Topological Properties
Globularity: 0.067561	Sterimol/B1: 2.48808	Sterimol/B2: 3.33003	Sterimol/B3: 3.99826
Sterimol/B4: 6.93128	Sterimol/L: 16.5063

Surface and Volume Properties
Accessible surface: 525.271	Positive charged surface: 340.897	Negative charged surface: 184.374	Volume: 303.125
Hydrophobic surface: 447.804	Hydrophilic surface: 77.467

Pharmacophoric Properties
Hydrogen bond donors: 0	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.