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DocumentationIdentifier: MM441610
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM441610 |
| SMILES |
C#CC=CC1CN1CC#C
|
| InChIKey |
AAHGPWXSMSHPGR-UHFFFAOYSA-N
|
| MW [Da] |
131.18
Automatically obtained from RDkit software. |
| LogP |
0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM194920
Similarity: 0.8675
Similarity to MM194920
| Tanimoto metric | 0.8675 |
|---|---|
| Cosine metric | 0.9314 |
| Dice metric | 0.9291 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM217124
Similarity: 0.8344
Similarity to MM217124
| Tanimoto metric | 0.8344 |
|---|---|
| Cosine metric | 0.9135 |
| Dice metric | 0.9097 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM441538
Similarity: 0.759
Similarity to MM441538
| Tanimoto metric | 0.759 |
|---|---|
| Cosine metric | 0.8635 |
| Dice metric | 0.863 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+86 more
