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MMsINC code: MMs03079687

Type: Neutral
Formula: C₁₁H₁₅N₅O₅

SMILES:

O1C(CO)C(O)C(O)C1N1C2=NC(=O)N(C)C(N)=C2N=C1

InChI:

InChI=1/C11H15N5O5/c1-15-8(12)5-9(14-11(15)20)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2,12H2,1H3/t4-,6+,7-,10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.616 kcal/mol

Physical Properties
Molecular Weight: 297.271 g/mol	logS: -0.4993	SlogP: -2.639	Reactive groups: 0

Topological Properties
Globularity: 0.0587278	Sterimol/B1: 3.34308	Sterimol/B2: 3.51903	Sterimol/B3: 3.63404
Sterimol/B4: 6.54689	Sterimol/L: 12.8213

Surface and Volume Properties
Accessible surface: 491.995	Positive charged surface: 377.036	Negative charged surface: 114.959	Volume: 245.375
Hydrophobic surface: 190.93	Hydrophilic surface: 301.065

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

MMs03079688
PUBCHEM-ZINC03870529