MMsINC Database Search


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MMsINC code: MMs02401776

Type: Neutral
Formula: C₂₀H₁₄N₂

SMILES:

N(=Nc1cc2c(cc1)cccc2)c1cc2c(cc1)cccc2

InChI:

InChI=1/C20H14N2/c1-3-7-17-13-19(11-9-15(17)5-1)21-22-20-12-10-16-6-2-4-8-18(16)14-20/h1-14H/b22-21+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.7227 kcal/mol

Physical Properties
Molecular Weight: 282.346 g/mol	logS: -7.03344	SlogP: 6.4084	Reactive groups: 0

Topological Properties
Globularity: 1.8672e-07	Sterimol/B1: 2.09793	Sterimol/B2: 2.10325	Sterimol/B3: 4.0156
Sterimol/B4: 4.54283	Sterimol/L: 18.5613

Surface and Volume Properties
Accessible surface: 551.541	Positive charged surface: 267.398	Negative charged surface: 262.001	Volume: 286.875
Hydrophobic surface: 551.541	Hydrophilic surface: 0

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

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Ions/Tautomers related molecules: no related molecules available.