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DocumentationIdentifier: MM231955
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM231955 |
| SMILES |
CC(C)(O)C(CO)CC#N
|
| InChIKey |
FJKDWTJCHCUHBA-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132032
Similarity: 0.7619
Similarity to MM132032
| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8729 |
| Dice metric | 0.8649 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM223708
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Similarity to MM223708
| Tanimoto metric | 0.6535 |
|---|---|
| Cosine metric | 0.7905 |
| Dice metric | 0.7905 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM387997
Similarity: 0.6535
Similarity to MM387997
| Tanimoto metric | 0.6535 |
|---|---|
| Cosine metric | 0.7905 |
| Dice metric | 0.7905 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+172 more
