MMsINC Database Search


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MMsINC code: MMs03204378

Type: Neutral
Formula: C₁₉H₁₅N₅O

SMILES:

[O-][N+](=Nc1ccccc1)c1nc2ncc(cc2n1C)-c1ccccc1

InChI:

InChI=1/C19H15N5O/c1-23-17-12-15(14-8-4-2-5-9-14)13-20-18(17)21-19(23)24(25)22-16-10-6-3-7-11-16/h2-13H,1H3/b24-22-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.633 kcal/mol

Physical Properties
Molecular Weight: 329.363 g/mol	logS: -6.93172	SlogP: 4.9202	Reactive groups: 0

Topological Properties
Globularity: 0.00549112	Sterimol/B1: 1.969	Sterimol/B2: 2.10383	Sterimol/B3: 2.98266
Sterimol/B4: 6.39012	Sterimol/L: 19.9141

Surface and Volume Properties
Accessible surface: 579.058	Positive charged surface: 321.417	Negative charged surface: 247.835	Volume: 310.875
Hydrophobic surface: 509.555	Hydrophilic surface: 69.503

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.