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DocumentationIdentifier: MM93356
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM93356 |
| SMILES |
C=CC(CCNC)OC=O
|
| InChIKey |
VGZDBTSFCNBING-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM92520
Similarity: 0.6944
Similarity to MM92520
| Tanimoto metric | 0.6944 |
|---|---|
| Cosine metric | 0.8333 |
| Dice metric | 0.8197 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM303679
Similarity: 0.6794
Similarity to MM303679
| Tanimoto metric | 0.6794 |
|---|---|
| Cosine metric | 0.8092 |
| Dice metric | 0.8091 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291459
Similarity: 0.6387
Similarity to MM291459
| Tanimoto metric | 0.6387 |
|---|---|
| Cosine metric | 0.784 |
| Dice metric | 0.7795 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+129 more
