MMsINC Database Search


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

MMsINC code: MMs02209542

Type: Neutral
Formula: C₂₀H₁₆N₂

SMILES:

n1c2c(cccc2)c(c2c1cccc2)-c1cc(C)c(N)cc1

InChI:

InChI=1/C20H16N2/c1-13-12-14(10-11-17(13)21)20-15-6-2-4-8-18(15)22-19-9-5-3-7-16(19)20/h2-12H,21H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.667 kcal/mol

Physical Properties
Molecular Weight: 284.362 g/mol	logS: -6.12783	SlogP: 4.94562	Reactive groups: 0

Topological Properties
Globularity: 0.105235	Sterimol/B1: 2.45306	Sterimol/B2: 5.43488	Sterimol/B3: 5.46447
Sterimol/B4: 6.71851	Sterimol/L: 13.1938

Surface and Volume Properties
Accessible surface: 517.942	Positive charged surface: 301.952	Negative charged surface: 206.044	Volume: 288.875
Hydrophobic surface: 439.363	Hydrophilic surface: 78.579

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.