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DocumentationIdentifier: MM439784
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM439784 |
| SMILES |
C=CC(C=O)=CCNCC
|
| InChIKey |
LOAGTZAFGJHEAM-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.91
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM68230
Similarity: 0.8778
Similarity to MM68230
| Tanimoto metric | 0.8778 |
|---|---|
| Cosine metric | 0.9369 |
| Dice metric | 0.9349 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM456883
Similarity: 0.7965
Similarity to MM456883
| Tanimoto metric | 0.7965 |
|---|---|
| Cosine metric | 0.8924 |
| Dice metric | 0.8867 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM387352
Similarity: 0.7248
Similarity to MM387352
| Tanimoto metric | 0.7248 |
|---|---|
| Cosine metric | 0.8412 |
| Dice metric | 0.8404 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+287 more
