MMsINC Database Search


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

MMsINC code: MMs00008842

Type: Neutral
Formula: C₄H₈N₂O₃

SMILES:

OC(=O)CNC(=O)CN

InChI:

InChI=1/C4H8N2O3/c5-1-3(7)6-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.4403 kcal/mol

Physical Properties
Molecular Weight: 132.119 g/mol	logS: 0.54969	SlogP: -1.8541	Reactive groups: 0

Topological Properties
Globularity: 0.0315785	Sterimol/B1: 2.41677	Sterimol/B2: 2.41832	Sterimol/B3: 2.6801
Sterimol/B4: 3.81436	Sterimol/L: 11.51

Surface and Volume Properties
Accessible surface: 310.386	Positive charged surface: 220.748	Negative charged surface: 89.6385	Volume: 114.25
Hydrophobic surface: 85.2172	Hydrophilic surface: 225.1688

Pharmacophoric Properties
Hydrogen bond donors: 4	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.