MMsINC Database Search


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MMsINC code: MMs02178273

Type: Neutral
Formula: C₂₆H₁₈N₂

SMILES:

n1c2c(nc(c1-c1c3c4c(CCc4ccc3)cc1)-c1ccccc1)cccc2

InChI:

InChI=1/C26H18N2/c1-2-7-19(8-3-1)25-26(28-23-12-5-4-11-22(23)27-25)21-16-15-18-14-13-17-9-6-10-20(21)24(17)18/h1-12,15-16H,13-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=151.581 kcal/mol

Physical Properties
Molecular Weight: 358.444 g/mol	logS: -8.19812	SlogP: 6.21554	Reactive groups: 0

Topological Properties
Globularity: 0.0913379	Sterimol/B1: 2.4631	Sterimol/B2: 2.67628	Sterimol/B3: 4.55838
Sterimol/B4: 9.86326	Sterimol/L: 15.3911

Surface and Volume Properties
Accessible surface: 602.446	Positive charged surface: 349.487	Negative charged surface: 242.069	Volume: 357.375
Hydrophobic surface: 571.041	Hydrophilic surface: 31.405

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.