MMsINC Database Search


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

MMsINC code: MMs00765113

Type: Neutral
Formula: C₂₄H₁₈N₂

SMILES:

n1c2c(nc(\C=C\c3ccccc3)c1\C=C\c1ccccc1)cccc2

InChI:

InChI=1/C24H18N2/c1-3-9-19(10-4-1)15-17-23-24(18-16-20-11-5-2-6-12-20)26-22-14-8-7-13-21(22)25-23/h1-18H/b17-15+,18-16+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.19 kcal/mol

Physical Properties
Molecular Weight: 334.422 g/mol	logS: -5.48448	SlogP: 5.9706	Reactive groups: 0

Topological Properties
Globularity: 4.35214e-07	Sterimol/B1: 2.097	Sterimol/B2: 2.10482	Sterimol/B3: 2.4357
Sterimol/B4: 12.0544	Sterimol/L: 16.4182

Surface and Volume Properties
Accessible surface: 639.123	Positive charged surface: 318.773	Negative charged surface: 320.349	Volume: 350.375
Hydrophobic surface: 599.926	Hydrophilic surface: 39.197

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: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.