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DocumentationIdentifier: MM364482
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM364482 |
| SMILES |
C=C(CC)CCNCCC
|
| InChIKey |
PDKUOXQUWVXYFH-UHFFFAOYSA-N
|
| MW [Da] |
141.26
Automatically obtained from RDkit software. |
| LogP |
2.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM166357
Similarity: 0.9688
Similarity to MM166357
| Tanimoto metric | 0.9688 |
|---|---|
| Cosine metric | 0.9843 |
| Dice metric | 0.9841 |
| MW: | 127.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM88833
Similarity: 0.8857
Similarity to MM88833
| Tanimoto metric | 0.8857 |
|---|---|
| Cosine metric | 0.9398 |
| Dice metric | 0.9394 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM258124
Similarity: 0.8378
Similarity to MM258124
| Tanimoto metric | 0.8378 |
|---|---|
| Cosine metric | 0.9133 |
| Dice metric | 0.9118 |
| MW: | 141.26 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+618 more
