MMsINC Database Search


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MMsINC code: MMs00268383

Type: Neutral
Formula: C₂₆H₁₈N₂

SMILES:

n1c2c(nc(c1-c1ccc(cc1)-c1ccccc1)-c1ccccc1)cccc2

InChI:

InChI=1/C26H18N2/c1-3-9-19(10-4-1)20-15-17-22(18-16-20)26-25(21-11-5-2-6-12-21)27-23-13-7-8-14-24(23)28-26/h1-18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=157.323 kcal/mol

Physical Properties
Molecular Weight: 358.444 g/mol	logS: -7.90082	SlogP: 6.6308	Reactive groups: 0

Topological Properties
Globularity: 0.0415097	Sterimol/B1: 2.79171	Sterimol/B2: 3.7259	Sterimol/B3: 4.13679
Sterimol/B4: 7.64689	Sterimol/L: 18.4432

Surface and Volume Properties
Accessible surface: 627.479	Positive charged surface: 330.141	Negative charged surface: 282.903	Volume: 362.75
Hydrophobic surface: 588.539	Hydrophilic surface: 38.94

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.