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MMsINC code: MMs03809707

Type: Neutral
Formula: C₁₀H₁₃N₅O₅

SMILES:

O1C(CO)C(O)C(O)C1n1c2N=CN(O)C(=N)c2nc1

InChI:

InChI=1/C10H13N5O5/c11-8-5-9(13-3-15(8)19)14(2-12-5)10-7(18)6(17)4(1-16)20-10/h2-4,6-7,10-11,16-19H,1H2/b11-8-/t4-,6-,7-,10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.026 kcal/mol

Physical Properties
Molecular Weight: 283.244 g/mol	logS: -0.61888	SlogP: -1.71993	Reactive groups: 0

Topological Properties
Globularity: 0.0482001	Sterimol/B1: 2.15231	Sterimol/B2: 2.74565	Sterimol/B3: 3.32923
Sterimol/B4: 6.05607	Sterimol/L: 13.9468

Surface and Volume Properties
Accessible surface: 472.401	Positive charged surface: 340.728	Negative charged surface: 131.673	Volume: 234
Hydrophobic surface: 165.268	Hydrophilic surface: 307.133

Pharmacophoric Properties
Hydrogen bond donors: 5	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

MMs03809708
PUBCHEM-ZINC06585262