MMsINC Database Search


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

MMsINC code: MMs01289750

Type: Neutral
Formula: C₂₄H₂₄N₂O₂

SMILES:

o1c2CCCCc2c2c1ccc(O)c2CNc1c2nc(cc(c2ccc1)C)C

InChI:

InChI=1/C24H24N2O2/c1-14-12-15(2)26-24-16(14)7-5-8-19(24)25-13-18-20(27)10-11-22-23(18)17-6-3-4-9-21(17)28-22/h5,7-8,10-12,25,27H,3-4,6,9,13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.806 kcal/mol

Physical Properties
Molecular Weight: 372.468 g/mol	logS: -6.49728	SlogP: 6.06068	Reactive groups: 0

Topological Properties
Globularity: 0.216664	Sterimol/B1: 4.68453	Sterimol/B2: 5.09767	Sterimol/B3: 5.79648
Sterimol/B4: 7.17901	Sterimol/L: 15.7935

Surface and Volume Properties
Accessible surface: 650.707	Positive charged surface: 428.381	Negative charged surface: 213.356	Volume: 368.375
Hydrophobic surface: 571.479	Hydrophilic surface: 79.228

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 1	Oprea's lead like rule: 0

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.