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DocumentationIdentifier: MM283090
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM283090 |
| SMILES |
CC#CC#CC(C)NC=O
|
| InChIKey |
WKIFPRIYNFXHQM-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM158437
Similarity: 0.881
Similarity to MM158437
| Tanimoto metric | 0.881 |
|---|---|
| Cosine metric | 0.9386 |
| Dice metric | 0.9367 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM380241
Similarity: 0.7475
Similarity to MM380241
| Tanimoto metric | 0.7475 |
|---|---|
| Cosine metric | 0.8558 |
| Dice metric | 0.8555 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM458861
Similarity: 0.7093
Similarity to MM458861
| Tanimoto metric | 0.7093 |
|---|---|
| Cosine metric | 0.8385 |
| Dice metric | 0.8299 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+142 more
