MMsINC Database Search


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MMsINC code: MMs03257350

Type: Neutral
Formula: C₁₈H₁₄N₄

SMILES:

n1ccccc1N\1Cc2c(cccc2)/C/1=N\c1ncccc1

InChI:

InChI=1/C18H14N4/c1-2-8-15-14(7-1)13-22(17-10-4-6-12-20-17)18(15)21-16-9-3-5-11-19-16/h1-12H,13H2/b21-18+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.2417 kcal/mol

Physical Properties
Molecular Weight: 286.338 g/mol	logS: -3.39615	SlogP: 3.8415	Reactive groups: 0

Topological Properties
Globularity: 0.0590902	Sterimol/B1: 2.42247	Sterimol/B2: 3.47459	Sterimol/B3: 3.94167
Sterimol/B4: 8.34652	Sterimol/L: 13.9973

Surface and Volume Properties
Accessible surface: 517.075	Positive charged surface: 337.303	Negative charged surface: 179.772	Volume: 283
Hydrophobic surface: 473.651	Hydrophilic surface: 43.424

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.