MMsINC Database Search


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

MMsINC code: MMs00009944

Type: Neutral
Formula: C₂₄H₁₆N₂

SMILES:

n1c2c(ccc3c2nccc3-c2ccccc2)c(cc1)-c1ccccc1

InChI:

InChI=1/C24H16N2/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18/h1-16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.561 kcal/mol

Physical Properties
Molecular Weight: 332.406 g/mol	logS: -7.41472	SlogP: 6.117	Reactive groups: 0

Topological Properties
Globularity: 0.047413	Sterimol/B1: 2.41565	Sterimol/B2: 3.08047	Sterimol/B3: 3.44685
Sterimol/B4: 8.48085	Sterimol/L: 15.2868

Surface and Volume Properties
Accessible surface: 580.645	Positive charged surface: 338.562	Negative charged surface: 224.896	Volume: 333.125
Hydrophobic surface: 543.898	Hydrophilic surface: 36.747

Pharmacophoric Properties
Hydrogen bond donors: 0	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.