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MMsINC code: MMs03639669

Type: Neutral
Formula: C₁₄H₁₄N₄O

SMILES:

O=C(N(c1ccccc1)c1ccccc1)N=C(N)N

InChI:

InChI=1/C14H14N4O/c15-13(16)17-14(19)18(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H4,15,16,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.5571 kcal/mol

Physical Properties
Molecular Weight: 254.293 g/mol	logS: -3.68134	SlogP: 2.2181	Reactive groups: 0

Topological Properties
Globularity: 0.198552	Sterimol/B1: 3.62989	Sterimol/B2: 3.96353	Sterimol/B3: 4.23328
Sterimol/B4: 4.97618	Sterimol/L: 12.5871

Surface and Volume Properties
Accessible surface: 470.883	Positive charged surface: 280.953	Negative charged surface: 189.93	Volume: 244.625
Hydrophobic surface: 321.445	Hydrophilic surface: 149.438

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs03639670
PUBCHEM-ZINC06252297