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DocumentationIdentifier: MM442104
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM442104 |
| SMILES |
C#CC#CC1CN1CCC
|
| InChIKey |
FGLTVFQMTIMCGQ-UHFFFAOYSA-N
|
| MW [Da] |
133.19
Automatically obtained from RDkit software. |
| LogP |
0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM217357
Similarity: 0.8828
Similarity to MM217357
| Tanimoto metric | 0.8828 |
|---|---|
| Cosine metric | 0.9396 |
| Dice metric | 0.9377 |
| MW: | 119.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM194938
Similarity: 0.8483
Similarity to MM194938
| Tanimoto metric | 0.8483 |
|---|---|
| Cosine metric | 0.921 |
| Dice metric | 0.9179 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM448557
Similarity: 0.8153
Similarity to MM448557
| Tanimoto metric | 0.8153 |
|---|---|
| Cosine metric | 0.8984 |
| Dice metric | 0.8982 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+277 more
