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MMsINC code: MMs02389691

Type: Neutral
Formula: C₁₄H₁₄N₄

SMILES:

N(C(=N)C(Nc1ccccc1)=N)c1ccccc1

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)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.2592 kcal/mol

Physical Properties
Molecular Weight: 238.294 g/mol	logS: -3.98492	SlogP: 3.16514	Reactive groups: 0

Topological Properties
Globularity: 0.0135695	Sterimol/B1: 2.62639	Sterimol/B2: 2.7023	Sterimol/B3: 3.56025
Sterimol/B4: 4.14745	Sterimol/L: 16.4787

Surface and Volume Properties
Accessible surface: 481.821	Positive charged surface: 275.272	Negative charged surface: 206.549	Volume: 238.5
Hydrophobic surface: 374.573	Hydrophilic surface: 107.248

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs02389692
NCID-ZINC04523190