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DocumentationIdentifier: MM93757
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM93757 |
| SMILES |
N#CC(F)=COCCCO
|
| InChIKey |
IOUFBABZNZSYTN-UHFFFAOYSA-N
|
| MW [Da] |
145.13
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
MM370220
Similarity: 0.8119
Similarity to MM370220
| Tanimoto metric | 0.8119 |
|---|---|
| Cosine metric | 0.8962 |
| Dice metric | 0.8962 |
| MW: | 140.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370273
Similarity: 0.7736
Similarity to MM370273
| Tanimoto metric | 0.7736 |
|---|---|
| Cosine metric | 0.8728 |
| Dice metric | 0.8723 |
| MW: | 139.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370218
Similarity: 0.7664
Similarity to MM370218
| Tanimoto metric | 0.7664 |
|---|---|
| Cosine metric | 0.8683 |
| Dice metric | 0.8677 |
| MW: | 143.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+396 more
