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DocumentationIdentifier: MM88833
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM88833 |
| SMILES |
C=C(CCN)CCNCC
|
| InChIKey |
VLAUXASFLDYLHO-UHFFFAOYSA-N
|
| MW [Da] |
142.25
Automatically obtained from RDkit software. |
| LogP |
0.89
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: 0.9118
Similarity to MM166357
| Tanimoto metric | 0.9118 |
|---|---|
| Cosine metric | 0.9549 |
| Dice metric | 0.9538 |
| MW: | 127.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM364482
Similarity: 0.8857
Similarity to MM364482
| Tanimoto metric | 0.8857 |
|---|---|
| Cosine metric | 0.9398 |
| Dice metric | 0.9394 |
| MW: | 141.26 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355682
Similarity: 0.8235
Similarity to MM355682
| Tanimoto metric | 0.8235 |
|---|---|
| Cosine metric | 0.9075 |
| Dice metric | 0.9032 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+684 more
