MMsINC Database Search


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

MMsINC code: MMs03701927

Type: Neutral
Formula: C₁₉H₂₄N₂O₃

SMILES:

O(C(=O)c1cc2n(ccc2cc1)CC(=O)N1C(CCCC1C)C)C

InChI:

InChI=1/C19H24N2O3/c1-13-5-4-6-14(2)21(13)18(22)12-20-10-9-15-7-8-16(11-17(15)20)19(23)24-3/h7-11,13-14H,4-6,12H2,1-3H3/t13-,14+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=168.011 kcal/mol

Physical Properties
Molecular Weight: 328.412 g/mol	logS: -3.42567	SlogP: 3.4838	Reactive groups: 0

Topological Properties
Globularity: 0.149907	Sterimol/B1: 2.36615	Sterimol/B2: 5.64308	Sterimol/B3: 5.77011
Sterimol/B4: 7.22872	Sterimol/L: 15.4142

Surface and Volume Properties
Accessible surface: 580.663	Positive charged surface: 404.774	Negative charged surface: 170.162	Volume: 326.5
Hydrophobic surface: 480.751	Hydrophilic surface: 99.912

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.