MMsINC Database Search


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

MMsINC code: MMs03403776

Type: Neutral
Formula: C₄H₇N₂O₃-

SMILES:

OC(=O)CNC(=O)C[NH-]

InChI:

InChI=1/C4H7N2O3/c5-1-3(7)6-2-4(8)9/h5H,1-2H2,(H,6,7)(H,8,9)/q-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.4373 kcal/mol

Physical Properties
Molecular Weight: 131.111 g/mol	logS: 0.5253	SlogP: -1.5299	Reactive groups: 0

Topological Properties
Globularity: 0.0307188	Sterimol/B1: 2.3752	Sterimol/B2: 2.3752	Sterimol/B3: 2.87291
Sterimol/B4: 3.77279	Sterimol/L: 11.5021

Surface and Volume Properties
Accessible surface: 300.058	Positive charged surface: 185.687	Negative charged surface: 114.372	Volume: 114
Hydrophobic surface: 83.9312	Hydrophilic surface: 216.1268

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 3	Acid groups: 1	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:

Ions/Tautomers related molecules: no related molecules available.