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MMsINC code: MMs03343763

Type: Neutral
Formula: C₁₁H₁₃NO₄

SMILES:

O(CCNC(=O)c1ccccc1C(O)=O)C

InChI:

InChI=1/C11H13NO4/c1-16-7-6-12-10(13)8-4-2-3-5-9(8)11(14)15/h2-5H,6-7H2,1H3,(H,12,13)(H,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.2659 kcal/mol

Physical Properties
Molecular Weight: 223.228 g/mol	logS: -1.64305	SlogP: 0.761	Reactive groups: 0

Topological Properties
Globularity: 0.0462155	Sterimol/B1: 2.5565	Sterimol/B2: 3.71302	Sterimol/B3: 3.92743
Sterimol/B4: 5.6592	Sterimol/L: 13.2661

Surface and Volume Properties
Accessible surface: 443.451	Positive charged surface: 316.188	Negative charged surface: 127.263	Volume: 209.25
Hydrophobic surface: 319.474	Hydrophilic surface: 123.977

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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

MMs03343764
PUBCHEM-ZINC05675262