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MMsINC code: MMs03205271

Type: Neutral
Formula: C₁₁H₁₆N₄O₅

SMILES:

O1C(CO)C(O)C(O)C1n1c2NC=NC(O)Cc2nc1

InChI:

InChI=1/C11H16N4O5/c16-2-6-8(18)9(19)11(20-6)15-4-14-5-1-7(17)12-3-13-10(5)15/h3-4,6-9,11,16-19H,1-2H2,(H,12,13)/t6-,7-,8-,9-,11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.056 kcal/mol

Physical Properties
Molecular Weight: 284.272 g/mol	logS: 0.03292	SlogP: -2.09523	Reactive groups: 0

Topological Properties
Globularity: 0.0597711	Sterimol/B1: 2.12654	Sterimol/B2: 2.63902	Sterimol/B3: 3.57036
Sterimol/B4: 6.06749	Sterimol/L: 14.3839

Surface and Volume Properties
Accessible surface: 479.813	Positive charged surface: 380.22	Negative charged surface: 99.5935	Volume: 243.625
Hydrophobic surface: 216.834	Hydrophilic surface: 262.979

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 7	Acid groups: 0	Basic groups: 0
Chiral centers: 5

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

MMs03205272
PUBCHEM-ZINC05117706