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DocumentationIdentifier: MM385423
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM385423 |
| SMILES |
C#CC(C)=C(C=O)NC=O
|
| InChIKey |
RQGAXVITTFPGRP-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
-0.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51182
Similarity: 0.7266
Similarity to MM51182
| Tanimoto metric | 0.7266 |
|---|---|
| Cosine metric | 0.8524 |
| Dice metric | 0.8417 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM52013
Similarity: 0.6906
Similarity to MM52013
| Tanimoto metric | 0.6906 |
|---|---|
| Cosine metric | 0.8311 |
| Dice metric | 0.817 |
| MW: | 123.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM297322
Similarity: 0.6121
Similarity to MM297322
| Tanimoto metric | 0.6121 |
|---|---|
| Cosine metric | 0.7602 |
| Dice metric | 0.7594 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+51 more
