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DocumentationIdentifier: MM136480
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM136480 |
| SMILES |
C=C(C)C=C(C)CC#N
|
| InChIKey |
JVQIQJVXNKMNQV-UHFFFAOYSA-N
|
| MW [Da] |
121.18
Automatically obtained from RDkit software. |
| LogP |
2.42
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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MM267814
Similarity: 0.8242
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| Tanimoto metric | 0.8242 |
|---|---|
| Cosine metric | 0.9078 |
| Dice metric | 0.9036 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM267809
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| Dice metric | 0.9036 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.59 |
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MM268167
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|---|---|
| Cosine metric | 0.9078 |
| Dice metric | 0.9036 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+484 more
