MMsINC Database Search


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

MMsINC code: MMs00513572

Type: Neutral
Formula: C₂₄H₁₈N₂

SMILES:

n1c2c(ccc1C1=CNc3c(cccc3)C1c1ccccc1)cccc2

InChI:

InChI=1/C24H18N2/c1-2-9-18(10-3-1)24-19-11-5-7-13-22(19)25-16-20(24)23-15-14-17-8-4-6-12-21(17)26-23/h1-16,24-25H/t24-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.296 kcal/mol

Physical Properties
Molecular Weight: 334.422 g/mol	logS: -5.79919	SlogP: 5.8333	Reactive groups: 0

Topological Properties
Globularity: 0.156023	Sterimol/B1: 2.37548	Sterimol/B2: 2.98105	Sterimol/B3: 5.91801
Sterimol/B4: 7.98487	Sterimol/L: 16.1563

Surface and Volume Properties
Accessible surface: 579.144	Positive charged surface: 316.516	Negative charged surface: 257.212	Volume: 340.375
Hydrophobic surface: 542.621	Hydrophilic surface: 36.523

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.