MMsINC Database Search


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MMsINC code: MMs00549579

Type: Neutral
Formula: C₂₆H₂₂N₂

SMILES:

n1n(c2c(C(CC(=C2)c2ccccc2)c2ccccc2)c1C)-c1ccccc1

InChI:

InChI=1/C26H22N2/c1-19-26-24(21-13-7-3-8-14-21)17-22(20-11-5-2-6-12-20)18-25(26)28(27-19)23-15-9-4-10-16-23/h2-16,18,24H,17H2,1H3/t24-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=140.927 kcal/mol

Physical Properties
Molecular Weight: 362.476 g/mol	logS: -6.28367	SlogP: 6.25692	Reactive groups: 0

Topological Properties
Globularity: 0.119624	Sterimol/B1: 2.79612	Sterimol/B2: 3.96716	Sterimol/B3: 4.83059
Sterimol/B4: 10.2929	Sterimol/L: 15.4366

Surface and Volume Properties
Accessible surface: 638.786	Positive charged surface: 365.317	Negative charged surface: 273.469	Volume: 374.75
Hydrophobic surface: 626.334	Hydrophilic surface: 12.452

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.