MMsINC Database Search


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

MMsINC code: MMs00364358

Type: Neutral
Formula: C₂₀H₁₆N₂

SMILES:

n1c2c(cccc2)c(Nc2ccc(cc2)C)c2c1cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.8346 kcal/mol

Physical Properties
Molecular Weight: 284.362 g/mol	logS: -5.91434	SlogP: 5.44002	Reactive groups: 0

Topological Properties
Globularity: 0.146798	Sterimol/B1: 2.55314	Sterimol/B2: 5.34148	Sterimol/B3: 5.8708
Sterimol/B4: 6.24796	Sterimol/L: 13.3751

Surface and Volume Properties
Accessible surface: 524.589	Positive charged surface: 298.242	Negative charged surface: 221.075	Volume: 291.875
Hydrophobic surface: 484.844	Hydrophilic surface: 39.745

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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.