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DocumentationIdentifier: MM269654
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM269654 |
| SMILES |
C=C(C)CC(=C)C(=C)CN
|
| InChIKey |
FWZALLGFSNVPBI-UHFFFAOYSA-N
|
| MW [Da] |
137.23
Automatically obtained from RDkit software. |
| LogP |
2.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM246774
Similarity: 0.8349
Similarity to MM246774
| Tanimoto metric | 0.8349 |
|---|---|
| Cosine metric | 0.91 |
| Dice metric | 0.91 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM173672
Similarity: 0.7822
Similarity to MM173672
| Tanimoto metric | 0.7822 |
|---|---|
| Cosine metric | 0.8844 |
| Dice metric | 0.8778 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM92783
Similarity: 0.757
Similarity to MM92783
| Tanimoto metric | 0.757 |
|---|---|
| Cosine metric | 0.8641 |
| Dice metric | 0.8617 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+253 more
