MMsINC Database Search


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MMsINC code: MMs03289883

Type: Neutral
Formula: C₁₄H₁₄N₄

SMILES:

n1ccccc1/C(=N\N=C(/C)\c1ncccc1)/C

InChI:

InChI=1/C14H14N4/c1-11(13-7-3-5-9-15-13)17-18-12(2)14-8-4-6-10-16-14/h3-10H,1-2H3/b17-11-,18-12-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.677 kcal/mol

Physical Properties
Molecular Weight: 238.294 g/mol	logS: -1.89478	SlogP: 2.7098	Reactive groups: 0

Topological Properties
Globularity: 0.00932928	Sterimol/B1: 1.969	Sterimol/B2: 2.12779	Sterimol/B3: 2.68886
Sterimol/B4: 7.35013	Sterimol/L: 14.618

Surface and Volume Properties
Accessible surface: 473.699	Positive charged surface: 318.332	Negative charged surface: 155.367	Volume: 242.625
Hydrophobic surface: 428.922	Hydrophilic surface: 44.777

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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: no related molecules available.