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DocumentationIdentifier: MM403069
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM403069 |
| SMILES |
CCCCNC(C#N)CF
|
| InChIKey |
HZYOESIFSVLMCS-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
1.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM40776
Similarity: 0.7843
Similarity to MM40776
| Tanimoto metric | 0.7843 |
|---|---|
| Cosine metric | 0.8793 |
| Dice metric | 0.8791 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM40191
Similarity: 0.7248
Similarity to MM40191
| Tanimoto metric | 0.7248 |
|---|---|
| Cosine metric | 0.8405 |
| Dice metric | 0.8404 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM165999
Similarity: 0.6559
Similarity to MM165999
| Tanimoto metric | 0.6559 |
|---|---|
| Cosine metric | 0.8099 |
| Dice metric | 0.7922 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+336 more
