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MMsINC code: MMs03213544

Type: Neutral
Formula: C₁₀H₁₃N₅O₅

SMILES:

O1C(CO)C(O)CC1N1C2=NC(=NC(=O)C2=NC1O)N

InChI:

InChI=1/C10H13N5O5/c11-9-13-7-6(8(18)14-9)12-10(19)15(7)5-1-3(17)4(2-16)20-5/h3-5,10,16-17,19H,1-2H2,(H2,11,14,18)/t3-,4+,5-,10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-7.69866 kcal/mol

Physical Properties
Molecular Weight: 283.244 g/mol	logS: -0.49514	SlogP: -3.2595	Reactive groups: 0

Topological Properties
Globularity: 0.0778769	Sterimol/B1: 2.90031	Sterimol/B2: 3.07301	Sterimol/B3: 3.61248
Sterimol/B4: 6.50846	Sterimol/L: 13.4652

Surface and Volume Properties
Accessible surface: 480.456	Positive charged surface: 338.431	Negative charged surface: 142.025	Volume: 230.25
Hydrophobic surface: 133.503	Hydrophilic surface: 346.953

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 8	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: no related molecules available.