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MMsINC code: MMs03430177

Type: Neutral
Formula: C₁₀H₁₆N₄O₅

SMILES:

O1C(CO)C(O)C(O)C1n1cnc(C(OC)=N)c1N

InChI:

InChI=1/C10H16N4O5/c1-18-9(12)5-8(11)14(3-13-5)10-7(17)6(16)4(2-15)19-10/h3-4,6-7,10,12,15-17H,2,11H2,1H3/b12-9-/t4-,6+,7+,10+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.949 kcal/mol

Physical Properties
Molecular Weight: 272.261 g/mol	logS: -0.21525	SlogP: -1.85593	Reactive groups: 0

Topological Properties
Globularity: 0.0546907	Sterimol/B1: 2.95618	Sterimol/B2: 3.17684	Sterimol/B3: 3.72167
Sterimol/B4: 5.66659	Sterimol/L: 13.9623

Surface and Volume Properties
Accessible surface: 466.927	Positive charged surface: 353.322	Negative charged surface: 113.605	Volume: 235.25
Hydrophobic surface: 218.294	Hydrophilic surface: 248.633

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 6	Acid groups: 0	Basic groups: 0
Chiral centers: 4

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

MMs03430178
PUBCHEM-ZINC05888148