MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs03124911

Type: Ionized
Formula: C₁₀H₉N₄O₄-

SMILES:

O=C([O-])c1ccccc1NN=C(C(=O)N)C(=O)N

InChI:

InChI=1/C10H10N4O4/c11-8(15)7(9(12)16)14-13-6-4-2-1-3-5(6)10(17)18/h1-4,13H,(H2,11,15)(H2,12,16)(H,17,18)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.6733 kcal/mol

Physical Properties
Molecular Weight: 249.206 g/mol	logS: -2.32478	SlogP: -2.2114	Reactive groups: 0

Topological Properties
Globularity: 0.0312576	Sterimol/B1: 2.63009	Sterimol/B2: 3.01835	Sterimol/B3: 3.45173
Sterimol/B4: 5.87852	Sterimol/L: 12.6985

Surface and Volume Properties
Accessible surface: 436.366	Positive charged surface: 223.039	Negative charged surface: 213.328	Volume: 211.75
Hydrophobic surface: 157.539	Hydrophilic surface: 278.827

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 2	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

search links for this molecule:

Parent related molecule:

MMs03124910
PUBCHEM-ZINC04477569