MMsINC Database Search


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MMsINC code: MMs02178303

Type: Neutral
Formula: C₂₆H₂₀N₂

SMILES:

n1c2c(cc3c(nc(cc3C)-c3ccccc3)c2)c(cc1-c1ccccc1)C

InChI:

InChI=1/C26H20N2/c1-17-13-23(19-9-5-3-6-10-19)27-25-16-26-22(15-21(17)25)18(2)14-24(28-26)20-11-7-4-8-12-20/h3-16H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.992 kcal/mol

Physical Properties
Molecular Weight: 360.46 g/mol	logS: -8.30016	SlogP: 6.73384	Reactive groups: 0

Topological Properties
Globularity: 0.00302391	Sterimol/B1: 1.9691	Sterimol/B2: 2.10953	Sterimol/B3: 2.51157
Sterimol/B4: 9.09718	Sterimol/L: 19.2432

Surface and Volume Properties
Accessible surface: 640.485	Positive charged surface: 333.843	Negative charged surface: 285.111	Volume: 368
Hydrophobic surface: 601.656	Hydrophilic surface: 38.829

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.