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DocumentationIdentifier: MM403645
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM403645 |
| SMILES |
C#CCCCC(C#N)OC
|
| InChIKey |
LYXYOWWYKFAKBP-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
1.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM198820
Similarity: 0.7895
Similarity to MM198820
| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8885 |
| Dice metric | 0.8824 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166193
Similarity: 0.7053
Similarity to MM166193
| Tanimoto metric | 0.7053 |
|---|---|
| Cosine metric | 0.8398 |
| Dice metric | 0.8272 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM339950
Similarity: 0.6757
Similarity to MM339950
| Tanimoto metric | 0.6757 |
|---|---|
| Cosine metric | 0.8066 |
| Dice metric | 0.8065 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+402 more
