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MMsINC code: MMs03756571

Type: Neutral
Formula: C₁₀H₁₄N₄O₅

SMILES:

O1C(CO)C(O)C(O)C1n1c2NC=NC(O)c2nc1

InChI:

InChI=1/C10H14N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,9-10,15-18H,1H2,(H,11,12)/t4-,6-,7-,9+,10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.4398 kcal/mol

Physical Properties
Molecular Weight: 270.245 g/mol	logS: 0.09439	SlogP: -1.8697	Reactive groups: 0

Topological Properties
Globularity: 0.0663926	Sterimol/B1: 2.30007	Sterimol/B2: 2.80579	Sterimol/B3: 3.3901
Sterimol/B4: 5.87285	Sterimol/L: 13.5555

Surface and Volume Properties
Accessible surface: 460.753	Positive charged surface: 353.608	Negative charged surface: 107.145	Volume: 226.25
Hydrophobic surface: 186.274	Hydrophilic surface: 274.479

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

MMs03756572
PUBCHEM-ZINC06477045