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MMsINC code: MMs00783945

Type: Neutral
Formula: C₂₄H₂₁N₄+

SMILES:

[nH+]1c2cc(\N=C/c3c4c([nH]c3)cccc4)ccc2n(Cc2ccccc2)c1C

InChI:

InChI=1/C24H20N4/c1-17-27-23-13-20(25-14-19-15-26-22-10-6-5-9-21(19)22)11-12-24(23)28(17)16-18-7-3-2-4-8-18/h2-15,26H,16H2,1H3/p+1/b25-14-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.462 kcal/mol

Physical Properties
Molecular Weight: 365.46 g/mol	logS: -5.64903	SlogP: 5.31042	Reactive groups: 0

Topological Properties
Globularity: 0.0744414	Sterimol/B1: 2.2166	Sterimol/B2: 3.19822	Sterimol/B3: 5.09211
Sterimol/B4: 7.53107	Sterimol/L: 17.2555

Surface and Volume Properties
Accessible surface: 642.208	Positive charged surface: 394.447	Negative charged surface: 243.295	Volume: 375.625
Hydrophobic surface: 525.937	Hydrophilic surface: 116.271

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 2
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

MMs00783946
CHEMBRIDGE-ZINC04750509