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DocumentationIdentifier: MM51232
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM51232 |
| SMILES |
N#CCC(CO)CC#N
|
| InChIKey |
VDEODDINFXBVLW-UHFFFAOYSA-N
|
| MW [Da] |
124.14
Automatically obtained from RDkit software. |
| LogP |
0.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM37478
Similarity: 0.9231
Similarity to MM37478
| Tanimoto metric | 0.9231 |
|---|---|
| Cosine metric | 0.9608 |
| Dice metric | 0.96 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM75596
Similarity: 0.7222
Similarity to MM75596
| Tanimoto metric | 0.7222 |
|---|---|
| Cosine metric | 0.8498 |
| Dice metric | 0.8387 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51207
Similarity: 0.7059
Similarity to MM51207
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8321 |
| Dice metric | 0.8276 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+250 more
