MMsINC Database Search


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MMsINC code: MMs00690598

Type: Neutral
Formula: C₂₄H₁₆N₂

SMILES:

n1c2c(c3c(cc2)cccc3)c(cc1-c1ncccc1)-c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=156.814 kcal/mol

Physical Properties
Molecular Weight: 332.406 g/mol	logS: -7.38352	SlogP: 6.117	Reactive groups: 0

Topological Properties
Globularity: 0.0433374	Sterimol/B1: 2.2807	Sterimol/B2: 3.555	Sterimol/B3: 3.58461
Sterimol/B4: 9.74855	Sterimol/L: 15.9238

Surface and Volume Properties
Accessible surface: 578.046	Positive charged surface: 335.391	Negative charged surface: 228.687	Volume: 332.625
Hydrophobic surface: 544.145	Hydrophilic surface: 33.901

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.