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MMsINC code: MMs02184157

Type: Neutral
Formula: C₁₀H₁₁NO₄

SMILES:

O(C)c1ccc(cc1)C\C(=N\O)\C(O)=O

InChI:

InChI=1/C10H11NO4/c1-15-8-4-2-7(3-5-8)6-9(11-14)10(12)13/h2-5,14H,6H2,1H3,(H,12,13)/b11-9+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.4239 kcal/mol

Physical Properties
Molecular Weight: 209.201 g/mol	logS: -1.6127	SlogP: 1.15247	Reactive groups: 0

Topological Properties
Globularity: 0.115286	Sterimol/B1: 2.9219	Sterimol/B2: 4.02708	Sterimol/B3: 4.15085
Sterimol/B4: 4.2975	Sterimol/L: 12.2151

Surface and Volume Properties
Accessible surface: 408.73	Positive charged surface: 274.221	Negative charged surface: 134.509	Volume: 191.5
Hydrophobic surface: 239.661	Hydrophilic surface: 169.069

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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

MMs02184158
MDPI-ZINC04204430