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DocumentationIdentifier: MM387788
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM387788 |
| SMILES |
C#CC(CNC=O)OC=C
|
| InChIKey |
QFISSUQXWCTEAT-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
-0.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM303634
Similarity: 0.7043
Similarity to MM303634
| Tanimoto metric | 0.7043 |
|---|---|
| Cosine metric | 0.8393 |
| Dice metric | 0.8265 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM387736
Similarity: 0.697
Similarity to MM387736
| Tanimoto metric | 0.697 |
|---|---|
| Cosine metric | 0.8217 |
| Dice metric | 0.8214 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM272196
Similarity: 0.6917
Similarity to MM272196
| Tanimoto metric | 0.6917 |
|---|---|
| Cosine metric | 0.818 |
| Dice metric | 0.8178 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+300 more
