MMsINC Database Search


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MMsINC code: MMs01266004

Type: Neutral
Formula: C₁₁H₁₀N₄O₃

SMILES:

O(CC(=O)NC(=O)N)c1ncnc2c1cccc2

InChI:

InChI=1/C11H10N4O3/c12-11(17)15-9(16)5-18-10-7-3-1-2-4-8(7)13-6-14-10/h1-4,6H,5H2,(H3,12,15,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=22.9976 kcal/mol

Physical Properties
Molecular Weight: 246.226 g/mol	logS: -3.00315	SlogP: 0.2035	Reactive groups: 0

Topological Properties
Globularity: 0.0039853	Sterimol/B1: 2.3738	Sterimol/B2: 2.37629	Sterimol/B3: 2.56113
Sterimol/B4: 7.20311	Sterimol/L: 15.3792

Surface and Volume Properties
Accessible surface: 452.722	Positive charged surface: 290.271	Negative charged surface: 156.916	Volume: 214.625
Hydrophobic surface: 217.341	Hydrophilic surface: 235.381

Pharmacophoric Properties
Hydrogen bond donors: 2	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.