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DocumentationIdentifier: MM15838
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM15838 |
| SMILES |
C#CCOC(C#N)CC=O
|
| InChIKey |
GAHPQXOQRYZPOM-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
0.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM177997
Similarity: 0.7944
Similarity to MM177997
| Tanimoto metric | 0.7944 |
|---|---|
| Cosine metric | 0.8913 |
| Dice metric | 0.8854 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM87846
Similarity: 0.7265
Similarity to MM87846
| Tanimoto metric | 0.7265 |
|---|---|
| Cosine metric | 0.8431 |
| Dice metric | 0.8416 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM387197
Similarity: 0.6911
Similarity to MM387197
| Tanimoto metric | 0.6911 |
|---|---|
| Cosine metric | 0.8176 |
| Dice metric | 0.8173 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+129 more
