MMsINC Database Search


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

MMsINC code: MMs02229511

Type: Neutral
Formula: C₂₄H₂₈N₂

SMILES:

N(Cc1ccc(cc1)CNc1ccc(cc1)CC)c1ccc(cc1)CC

InChI:

InChI=1/C24H28N2/c1-3-19-9-13-23(14-10-19)25-17-21-5-7-22(8-6-21)18-26-24-15-11-20(4-2)12-16-24/h5-16,25-26H,3-4,17-18H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.893 kcal/mol

Physical Properties
Molecular Weight: 344.502 g/mol	logS: -6.49188	SlogP: 6.56834	Reactive groups: 0

Topological Properties
Globularity: 0.0216595	Sterimol/B1: 2.17369	Sterimol/B2: 3.80626	Sterimol/B3: 4.01088
Sterimol/B4: 5.06257	Sterimol/L: 24.704

Surface and Volume Properties
Accessible surface: 705.146	Positive charged surface: 454.189	Negative charged surface: 250.957	Volume: 379.375
Hydrophobic surface: 624.902	Hydrophilic surface: 80.244

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 0	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: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.