MMsINC Database Search


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MMsINC code: MMs00255385

Type: Neutral
Formula: C₂₄H₁₆N₂

SMILES:

n1c2c(nc(c1-c1ccccc1)-c1ccccc1)cc1c(c2)cccc1

InChI:

InChI=1/C24H16N2/c1-3-9-17(10-4-1)23-24(18-11-5-2-6-12-18)26-22-16-20-14-8-7-13-19(20)15-21(22)25-23/h1-16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.165 kcal/mol

Physical Properties
Molecular Weight: 332.406 g/mol	logS: -7.35232	SlogP: 6.117	Reactive groups: 0

Topological Properties
Globularity: 0.0326068	Sterimol/B1: 2.80292	Sterimol/B2: 2.90453	Sterimol/B3: 3.52696
Sterimol/B4: 8.54644	Sterimol/L: 15.6474

Surface and Volume Properties
Accessible surface: 587.102	Positive charged surface: 319.509	Negative charged surface: 251.126	Volume: 334.375
Hydrophobic surface: 547.68	Hydrophilic surface: 39.422

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: 0

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Ions/Tautomers related molecules: no related molecules available.