MMsINC Database Search


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MMsINC code: MMs02209540

Type: Neutral
Formula: C₂₀H₁₆N₂

SMILES:

n1c2c(cc(cc2)C)c(Nc2ccccc2)c2c1cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.7311 kcal/mol

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

Topological Properties
Globularity: 0.154193	Sterimol/B1: 3.09936	Sterimol/B2: 4.77076	Sterimol/B3: 5.17295
Sterimol/B4: 7.33451	Sterimol/L: 12.7638

Surface and Volume Properties
Accessible surface: 527.595	Positive charged surface: 299.913	Negative charged surface: 222.289	Volume: 291.25
Hydrophobic surface: 486.954	Hydrophilic surface: 40.641

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

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Ions/Tautomers related molecules: no related molecules available.