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DocumentationIdentifier: MM365954
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM365954 |
| SMILES |
C#CC(=O)CCCCNC
|
| InChIKey |
JXPLBWGOHZSRCX-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM91589
Similarity: 0.6383
Similarity to MM91589
| Tanimoto metric | 0.6383 |
|---|---|
| Cosine metric | 0.7798 |
| Dice metric | 0.7792 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM364410
Similarity: 0.6333
Similarity to MM364410
| Tanimoto metric | 0.6333 |
|---|---|
| Cosine metric | 0.7786 |
| Dice metric | 0.7755 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM258692
Similarity: 0.6147
Similarity to MM258692
| Tanimoto metric | 0.6147 |
|---|---|
| Cosine metric | 0.7645 |
| Dice metric | 0.7614 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+392 more
