MMsINC Database Search


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

MMsINC code: MMs00255770

Type: Neutral
Formula: C₇H₁₀N₆O₂

SMILES:

O=C1N(C)C(=O)N(c2nc([nH]c12)NN)C

InChI:

InChI=1/C7H10N6O2/c1-12-4-3(9-6(10-4)11-8)5(14)13(2)7(12)15/h8H2,1-2H3,(H2,9,10,11)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=0.134888 kcal/mol

Physical Properties
Molecular Weight: 210.197 g/mol	logS: -1.09687	SlogP: -0.6629	Reactive groups: 0

Topological Properties
Globularity: 0.0190258	Sterimol/B1: 1.98594	Sterimol/B2: 2.47293	Sterimol/B3: 2.51758
Sterimol/B4: 7.0906	Sterimol/L: 12.3786

Surface and Volume Properties
Accessible surface: 388.551	Positive charged surface: 303.83	Negative charged surface: 84.7214	Volume: 176
Hydrophobic surface: 153.908	Hydrophilic surface: 234.643

Pharmacophoric Properties
Hydrogen bond donors: 4	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.