MMsINC Database Search


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MMsINC code: MMs02796176

Type: Neutral
Formula: C₁₅H₉N₅O₂

SMILES:

OC(=O)c1cc2ncnc(-n3nnc4c3cccc4)c2cc1

InChI:

InChI=1/C15H9N5O2/c21-15(22)9-5-6-10-12(7-9)16-8-17-14(10)20-13-4-2-1-3-11(13)18-19-20/h1-8H,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.1466 kcal/mol

Physical Properties
Molecular Weight: 291.27 g/mol	logS: -3.90473	SlogP: 2.0619	Reactive groups: 0

Topological Properties
Globularity: 0.0427766	Sterimol/B1: 2.58319	Sterimol/B2: 3.25315	Sterimol/B3: 4.13702
Sterimol/B4: 6.13901	Sterimol/L: 15.3042

Surface and Volume Properties
Accessible surface: 488.282	Positive charged surface: 251.529	Negative charged surface: 231.642	Volume: 253.25
Hydrophobic surface: 272.659	Hydrophilic surface: 215.623

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 6	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

MMs02796177
PUBCHEM-ZINC01293346