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DocumentationIdentifier: MM298727
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM298727 |
| SMILES |
C=C(CCC)C(=C)C(C)N
|
| InChIKey |
UPNPGRWMUUKYEN-UHFFFAOYSA-N
|
| MW [Da] |
139.24
Automatically obtained from RDkit software. |
| LogP |
2.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM351775
Similarity: 0.8512
Similarity to MM351775
| Tanimoto metric | 0.8512 |
|---|---|
| Cosine metric | 0.9202 |
| Dice metric | 0.9196 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM161144
Similarity: 0.8426
Similarity to MM161144
| Tanimoto metric | 0.8426 |
|---|---|
| Cosine metric | 0.9179 |
| Dice metric | 0.9146 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM93341
Similarity: 0.7705
Similarity to MM93341
| Tanimoto metric | 0.7705 |
|---|---|
| Cosine metric | 0.8704 |
| Dice metric | 0.8704 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+443 more
