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MMsINC code: MMs02497798

Type: Neutral
Formula: C₁₀H₁₁N₅O₇

SMILES:

O1C(CO)C(O)C(O)C1n1c2NC([N+](=O)[O-])=NC(=O)c2nc1

InChI:

InChI=1/C10H11N5O7/c16-1-3-5(17)6(18)9(22-3)14-2-11-4-7(14)12-10(15(20)21)13-8(4)19/h2-3,5-6,9,16-18H,1H2,(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)=132.837 kcal/mol

Physical Properties
Molecular Weight: 313.226 g/mol	logS: -1.53512	SlogP: -2.2115	Reactive groups: 1

Topological Properties
Globularity: 0.083691	Sterimol/B1: 2.38777	Sterimol/B2: 3.1954	Sterimol/B3: 3.85766
Sterimol/B4: 6.573	Sterimol/L: 14.4568

Surface and Volume Properties
Accessible surface: 484.57	Positive charged surface: 271.135	Negative charged surface: 213.435	Volume: 236.125
Hydrophobic surface: 146.849	Hydrophilic surface: 337.721

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02497799
NCID-ZINC05801003