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MMsINC code: MMs01230178

Type: Neutral
Formula: C₁₁H₁₃NO₅

SMILES:

O(C)c1cc(ccc1OC)C(=O)NCC(O)=O

InChI:

InChI=1/C11H13NO5/c1-16-8-4-3-7(5-9(8)17-2)11(15)12-6-10(13)14/h3-5H,6H2,1-2H3,(H,12,15)(H,13,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.0749 kcal/mol

Physical Properties
Molecular Weight: 239.227 g/mol	logS: -1.62761	SlogP: 0.5182	Reactive groups: 0

Topological Properties
Globularity: 0.0141169	Sterimol/B1: 1.969	Sterimol/B2: 2.3772	Sterimol/B3: 2.3789
Sterimol/B4: 7.59046	Sterimol/L: 14.5321

Surface and Volume Properties
Accessible surface: 463.916	Positive charged surface: 330.015	Negative charged surface: 133.901	Volume: 215.75
Hydrophobic surface: 296.348	Hydrophilic surface: 167.568

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

MMs01230179
ENAMINE-ZINC00409471