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DocumentationIdentifier: MM405455
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM405455 |
| SMILES |
CC#CCOC(CC)CC
|
| InChIKey |
PHYWSDRCTIDCAK-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167657
Similarity: 0.8857
Similarity to MM167657
| Tanimoto metric | 0.8857 |
|---|---|
| Cosine metric | 0.9411 |
| Dice metric | 0.9394 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM198772
Similarity: 0.8286
Similarity to MM198772
| Tanimoto metric | 0.8286 |
|---|---|
| Cosine metric | 0.9103 |
| Dice metric | 0.9063 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370238
Similarity: 0.8182
Similarity to MM370238
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9 |
| Dice metric | 0.9 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+873 more
