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MMsINC code: MMs03454264

Type: Neutral
Formula: C₁₀H₁₂N₆O₃

SMILES:

O1C(CO)/C(=N/O)/CC1n1c2ncnc(N)c2nc1

InChI:

InChI=1/C10H12N6O3/c11-9-8-10(13-3-12-9)16(4-14-8)7-1-5(15-18)6(2-17)19-7/h3-4,6-7,17-18H,1-2H2,(H2,11,12,13)/b15-5-/t6-,7-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.786 kcal/mol

Physical Properties
Molecular Weight: 264.245 g/mol	logS: -1.39625	SlogP: -0.386	Reactive groups: 0

Topological Properties
Globularity: 0.0463682	Sterimol/B1: 2.403	Sterimol/B2: 2.48049	Sterimol/B3: 3.70919
Sterimol/B4: 6.04607	Sterimol/L: 14.3092

Surface and Volume Properties
Accessible surface: 462.754	Positive charged surface: 346.702	Negative charged surface: 116.052	Volume: 224.125
Hydrophobic surface: 167.981	Hydrophilic surface: 294.773

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 7	Acid groups: 0	Basic groups: 0
Chiral centers: 2

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.