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MMsINC code: MMs02184155

Type: Neutral
Formula: C₁₀H₁₁NO₅

SMILES:

O(C)c1cc(ccc1O)C\C(=N\O)\C(O)=O

InChI:

InChI=1/C10H11NO5/c1-16-9-5-6(2-3-8(9)12)4-7(11-15)10(13)14/h2-3,5,12,15H,4H2,1H3,(H,13,14)/b11-7+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.9128 kcal/mol

Physical Properties
Molecular Weight: 225.2 g/mol	logS: -1.25075	SlogP: 0.85807	Reactive groups: 0

Topological Properties
Globularity: 0.10724	Sterimol/B1: 2.1063	Sterimol/B2: 3.16653	Sterimol/B3: 3.26825
Sterimol/B4: 7.03438	Sterimol/L: 10.5223

Surface and Volume Properties
Accessible surface: 422.523	Positive charged surface: 287.567	Negative charged surface: 134.956	Volume: 198.5
Hydrophobic surface: 208.656	Hydrophilic surface: 213.867

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 6	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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

MMs02184156
MDPI-ZINC04204427