MMsINC Database Search


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MMsINC code: MMs02297832

Type: Neutral
Formula: C₂₄H₂₀N₄

SMILES:

n1c(nc2c(cccc2)c1N\N=C\C=C\c1ccccc1)-c1ccc(cc1)C

InChI:

InChI=1/C24H20N4/c1-18-13-15-20(16-14-18)23-26-22-12-6-5-11-21(22)24(27-23)28-25-17-7-10-19-8-3-2-4-9-19/h2-17H,1H3,(H,26,27,28)/b10-7+,25-17+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.114 kcal/mol

Physical Properties
Molecular Weight: 364.452 g/mol	logS: -7.73311	SlogP: 5.71632	Reactive groups: 0

Topological Properties
Globularity: 0.00158101	Sterimol/B1: 1.99439	Sterimol/B2: 2.10334	Sterimol/B3: 2.51218
Sterimol/B4: 13.1063	Sterimol/L: 17.8668

Surface and Volume Properties
Accessible surface: 689.195	Positive charged surface: 377.772	Negative charged surface: 300.802	Volume: 370.375
Hydrophobic surface: 615.224	Hydrophilic surface: 73.971

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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: 1

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Ions/Tautomers related molecules: no related molecules available.