MMsINC Database Search


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

MMsINC code: MMs02389565

Type: Neutral
Formula: C₂₃H₂₆N₂O

SMILES:

Oc1cc(ccc1)C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1

InChI:

InChI=1/C23H26N2O/c1-24(2)20-12-8-17(9-13-20)23(19-6-5-7-22(26)16-19)18-10-14-21(15-11-18)25(3)4/h5-16,23,26H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=150.579 kcal/mol

Physical Properties
Molecular Weight: 346.474 g/mol	logS: -4.63659	SlogP: 4.7044	Reactive groups: 0

Topological Properties
Globularity: 0.132828	Sterimol/B1: 2.7193	Sterimol/B2: 3.17122	Sterimol/B3: 5.70426
Sterimol/B4: 10.1419	Sterimol/L: 15.9699

Surface and Volume Properties
Accessible surface: 640.081	Positive charged surface: 481.085	Negative charged surface: 158.996	Volume: 363.75
Hydrophobic surface: 587.276	Hydrophilic surface: 52.805

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.