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DocumentationIdentifier: MM447945
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM447945 |
| SMILES |
C#CC1CN1CC#CCC
|
| InChIKey |
XCOUZCDIEQUHBB-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
MM217039
Similarity: 0.9322
Similarity to MM217039
| Tanimoto metric | 0.9322 |
|---|---|
| Cosine metric | 0.9655 |
| Dice metric | 0.9649 |
| MW: | 119.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM441266
Similarity: 0.9063
Similarity to MM441266
| Tanimoto metric | 0.9063 |
|---|---|
| Cosine metric | 0.9513 |
| Dice metric | 0.9508 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM194961
Similarity: 0.875
Similarity to MM194961
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9335 |
| Dice metric | 0.9333 |
| MW: | 119.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+234 more
