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DocumentationIdentifier: MM374048
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM374048 |
| SMILES |
CC(C)C(O)C=CCC#N
|
| InChIKey |
LXQNXIWCSRMRIV-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM378727
Similarity: 0.7363
Similarity to MM378727
| Tanimoto metric | 0.7363 |
|---|---|
| Cosine metric | 0.8506 |
| Dice metric | 0.8481 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM339905
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| Tanimoto metric | 0.7327 |
|---|---|
| Cosine metric | 0.8461 |
| Dice metric | 0.8457 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM319932
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| Tanimoto metric | 0.7234 |
|---|---|
| Cosine metric | 0.8405 |
| Dice metric | 0.8395 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+591 more
