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DocumentationIdentifier: MM233017
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM233017 |
| SMILES |
CC(C)(F)C#CC#CCF
|
| InChIKey |
CUPWWTWCFRWJAM-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
1.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM233014
Similarity: 0.942
Similarity to MM233014
| Tanimoto metric | 0.942 |
|---|---|
| Cosine metric | 0.9701 |
| Dice metric | 0.9701 |
| MW: | 138.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM131961
Similarity: 0.9403
Similarity to MM131961
| Tanimoto metric | 0.9403 |
|---|---|
| Cosine metric | 0.9697 |
| Dice metric | 0.9692 |
| MW: | 124.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM233045
Similarity: 0.8649
Similarity to MM233045
| Tanimoto metric | 0.8649 |
|---|---|
| Cosine metric | 0.9279 |
| Dice metric | 0.9275 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+468 more
