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MMsINC code: MMs02411536

Type: Neutral
Formula: C₁₀H₁₃N₅O₅

SMILES:

O1C(CO)C(O)C(O)C1n1c2N=CNC(=O)c2nc1N

InChI:

InChI=1/C10H13N5O5/c11-10-14-4-7(12-2-13-8(4)19)15(10)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H2,11,14)(H,12,13,19)/t3-,5+,6-,9+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.211 kcal/mol

Physical Properties
Molecular Weight: 283.244 g/mol	logS: -0.93735	SlogP: -2.4245	Reactive groups: 0

Topological Properties
Globularity: 0.125261	Sterimol/B1: 2.4673	Sterimol/B2: 3.32984	Sterimol/B3: 3.35121
Sterimol/B4: 7.74052	Sterimol/L: 11.6681

Surface and Volume Properties
Accessible surface: 436.188	Positive charged surface: 324.721	Negative charged surface: 111.467	Volume: 226
Hydrophobic surface: 120.784	Hydrophilic surface: 315.404

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 7	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.