MMsINC Database Search


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

MMsINC code: MMs02299195

Type: Neutral
Formula: C₁₀H₁₁N₃O₂

SMILES:

Oc1c(N)c(O)c2nc(ccc2c1N)C

InChI:

InChI=1/C10H11N3O2/c1-4-2-3-5-6(11)9(14)7(12)10(15)8(5)13-4/h2-3,14-15H,11-12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.6837 kcal/mol

Physical Properties
Molecular Weight: 205.217 g/mol	logS: -1.00467	SlogP: 1.11882	Reactive groups: 0

Topological Properties
Globularity: 0.0155922	Sterimol/B1: 2.10947	Sterimol/B2: 2.50753	Sterimol/B3: 3.79617
Sterimol/B4: 5.41859	Sterimol/L: 11.4992

Surface and Volume Properties
Accessible surface: 393.447	Positive charged surface: 269.216	Negative charged surface: 118.638	Volume: 183.5
Hydrophobic surface: 193.93	Hydrophilic surface: 199.517

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 3	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.