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DocumentationIdentifier: MM440926
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM440926 |
| SMILES |
C#CCC1CN1CC#CC
|
| InChIKey |
TZKXSFLYTGYYSM-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
MM194802
Similarity: 0.8647
Similarity to MM194802
| Tanimoto metric | 0.8647 |
|---|---|
| Cosine metric | 0.9299 |
| Dice metric | 0.9274 |
| MW: | 119.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM217019
Similarity: 0.8346
Similarity to MM217019
| Tanimoto metric | 0.8346 |
|---|---|
| Cosine metric | 0.9136 |
| Dice metric | 0.9098 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM447755
Similarity: 0.8014
Similarity to MM447755
| Tanimoto metric | 0.8014 |
|---|---|
| Cosine metric | 0.8908 |
| Dice metric | 0.8898 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+263 more
