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MMsINC code: MMs02257469

Type: Neutral
Formula: C₁₀H₁₂N₄O₅

SMILES:

O1C(CO)C(O)C(O)C1N1C=C2N=CNC2=NC1=O

InChI:

InChI=1/C10H12N4O5/c15-2-5-6(16)7(17)9(19-5)14-1-4-8(12-3-11-4)13-10(14)18/h1,3,5-7,9,15-17H,2H2,(H,11,12,13,18)/t5-,6+,7-,9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.2759 kcal/mol

Physical Properties
Molecular Weight: 268.229 g/mol	logS: -0.55917	SlogP: -2.2676	Reactive groups: 0

Topological Properties
Globularity: 0.0709422	Sterimol/B1: 2.9872	Sterimol/B2: 3.87731	Sterimol/B3: 3.91265
Sterimol/B4: 5.50743	Sterimol/L: 12.9487

Surface and Volume Properties
Accessible surface: 441.953	Positive charged surface: 316.454	Negative charged surface: 125.499	Volume: 217.5
Hydrophobic surface: 152.543	Hydrophilic surface: 289.41

Pharmacophoric Properties
Hydrogen bond donors: 4	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.