MMsINC Database Search


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MMsINC code: MMs02664600

Type: Neutral
Formula: C₁₅H₁₀N₄O₂

SMILES:

o1c2c(N=CNC2=O)c2c1nc(nc2C)-c1ccccc1

InChI:

InChI=1/C15H10N4O2/c1-8-10-11-12(14(20)17-7-16-11)21-15(10)19-13(18-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,16,17,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.8926 kcal/mol

Physical Properties
Molecular Weight: 278.271 g/mol	logS: -6.35239	SlogP: 2.60142	Reactive groups: 0

Topological Properties
Globularity: 0.00357646	Sterimol/B1: 2.10327	Sterimol/B2: 2.16205	Sterimol/B3: 2.51218
Sterimol/B4: 7.5564	Sterimol/L: 15.6368

Surface and Volume Properties
Accessible surface: 482.126	Positive charged surface: 294.907	Negative charged surface: 176.089	Volume: 247.5
Hydrophobic surface: 316.723	Hydrophilic surface: 165.403

Pharmacophoric Properties
Hydrogen bond donors: 1	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.