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DocumentationIdentifier: MM242215
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM242215 |
| SMILES |
C=C(CC#N)C(C)(C)CC
|
| InChIKey |
FBRJYJQRRPZLCJ-UHFFFAOYSA-N
|
| MW [Da] |
137.23
Automatically obtained from RDkit software. |
| LogP |
2.89
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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MM173048
Similarity: 0.7957
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| Tanimoto metric | 0.7957 |
|---|---|
| Cosine metric | 0.892 |
| Dice metric | 0.8862 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM137757
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| Tanimoto metric | 0.7204 |
|---|---|
| Cosine metric | 0.8488 |
| Dice metric | 0.8375 |
| MW: | 126.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM71821
Similarity: 0.7048
Similarity to MM71821
| Tanimoto metric | 0.7048 |
|---|---|
| Cosine metric | 0.8274 |
| Dice metric | 0.8268 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+421 more
