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DocumentationIdentifier: MM274964
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM274964 |
| SMILES |
CC(O)CC(C#N)C(C)C
|
| InChIKey |
UPRVJYLPEHBBDO-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM149740
Similarity: 0.8132
Similarity to MM149740
| Tanimoto metric | 0.8132 |
|---|---|
| Cosine metric | 0.9018 |
| Dice metric | 0.897 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM326587
Similarity: 0.717
Similarity to MM326587
| Tanimoto metric | 0.717 |
|---|---|
| Cosine metric | 0.8352 |
| Dice metric | 0.8352 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM66792
Similarity: 0.7103
Similarity to MM66792
| Tanimoto metric | 0.7103 |
|---|---|
| Cosine metric | 0.8306 |
| Dice metric | 0.8306 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+404 more
