MMsINC Database Search


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MMsINC code: MMs02803144

Type: Neutral
Formula: C₁₀H₁₀N₄O₄

SMILES:

O=C1n2c(NC(=C1)C(OC)=O)c(nc2)C(=O)NC

InChI:

InChI=1/C10H10N4O4/c1-11-9(16)7-8-13-5(10(17)18-2)3-6(15)14(8)4-12-7/h3-4,13H,1-2H3,(H,11,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.7496 kcal/mol

Physical Properties
Molecular Weight: 250.214 g/mol	logS: -1.80557	SlogP: -0.6347	Reactive groups: 0

Topological Properties
Globularity: 0.00957757	Sterimol/B1: 2.06758	Sterimol/B2: 2.37501	Sterimol/B3: 2.37546
Sterimol/B4: 7.17259	Sterimol/L: 15.0208

Surface and Volume Properties
Accessible surface: 453.149	Positive charged surface: 329.312	Negative charged surface: 123.838	Volume: 214.625
Hydrophobic surface: 288.768	Hydrophilic surface: 164.381

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.