MMsINC Database Search


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

MMsINC code: MMs01724963

Type: Neutral
Formula: C₁₁H₁₄N₄O₄

SMILES:

O1CCOC1Cn1c2c(nc1)N(C)C(=O)N(C)C2=O

InChI:

InChI=1/C11H14N4O4/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)5-7-18-3-4-19-7/h6-7H,3-5H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-0.576552 kcal/mol

Physical Properties
Molecular Weight: 266.257 g/mol	logS: -1.00318	SlogP: 0.1642	Reactive groups: 0

Topological Properties
Globularity: 0.0880941	Sterimol/B1: 2.38467	Sterimol/B2: 3.09613	Sterimol/B3: 4.06731
Sterimol/B4: 6.88242	Sterimol/L: 13.3705

Surface and Volume Properties
Accessible surface: 464.382	Positive charged surface: 389.832	Negative charged surface: 74.5503	Volume: 233
Hydrophobic surface: 355.764	Hydrophilic surface: 108.618

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.