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DocumentationIdentifier: MM49075
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM49075 |
| SMILES |
N#CCNCCC(=O)CF
|
| InChIKey |
AWYZVAAKWZQJDG-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
0.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM364499
Similarity: 0.7872
Similarity to MM364499
| Tanimoto metric | 0.7872 |
|---|---|
| Cosine metric | 0.8832 |
| Dice metric | 0.881 |
| MW: | 147.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM440049
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| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8563 |
| Dice metric | 0.8462 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM258127
Similarity: 0.7327
Similarity to MM258127
| Tanimoto metric | 0.7327 |
|---|---|
| Cosine metric | 0.8461 |
| Dice metric | 0.8457 |
| MW: | 147.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+158 more
