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MMsINC code: MMs02389692

Type: Tautomer
Formula: C₁₄H₁₆N₄+2

SMILES:

[NH2+]=C(Nc1ccccc1)C(=[NH2+])Nc1ccccc1

InChI:

InChI=1/C14H14N4/c15-13(17-11-7-3-1-4-8-11)14(16)18-12-9-5-2-6-10-12/h1-10H,(H2,15,17)(H2,16,18)/p+2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.4834 kcal/mol

Physical Properties
Molecular Weight: 240.31 g/mol	logS: -3.93614	SlogP: -0.4742	Reactive groups: 0

Topological Properties
Globularity: 0.115952	Sterimol/B1: 3.51213	Sterimol/B2: 3.64736	Sterimol/B3: 4.06452
Sterimol/B4: 6.16886	Sterimol/L: 14.4592

Surface and Volume Properties
Accessible surface: 484.638	Positive charged surface: 312.362	Negative charged surface: 172.276	Volume: 246.25
Hydrophobic surface: 347.16	Hydrophilic surface: 137.478

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 4
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Parent related molecule:

MMs02389691
NCID-ZINC04523190