MMsINC Database Search


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MMsINC code: MMs03241853

Type: Neutral
Formula: C₂₆H₂₀N₄

SMILES:

n1nn(c2c1cccc2)C(n1c2c(c3c1cccc3)cccc2)Cc1ccccc1

InChI:

InChI=1/C26H20N4/c1-2-10-19(11-3-1)18-26(30-25-17-9-6-14-22(25)27-28-30)29-23-15-7-4-12-20(23)21-13-5-8-16-24(21)29/h1-17,26H,18H2/t26-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.547 kcal/mol

Physical Properties
Molecular Weight: 388.474 g/mol	logS: -6.5857	SlogP: 5.92427	Reactive groups: 0

Topological Properties
Globularity: 0.346366	Sterimol/B1: 2.64517	Sterimol/B2: 5.77661	Sterimol/B3: 6.13286
Sterimol/B4: 8.28747	Sterimol/L: 14.2912

Surface and Volume Properties
Accessible surface: 630.831	Positive charged surface: 318.867	Negative charged surface: 300.058	Volume: 384
Hydrophobic surface: 599.201	Hydrophilic surface: 31.63

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.