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DocumentationIdentifier: MM163116
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM163116 |
| SMILES |
CCC=CC(N)C(C)C
|
| InChIKey |
SCPSZRDSHAKNHK-UHFFFAOYSA-N
|
| MW [Da] |
127.23
Automatically obtained from RDkit software. |
| LogP |
1.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM305653
Similarity: 0.9143
Similarity to MM305653
| Tanimoto metric | 0.9143 |
|---|---|
| Cosine metric | 0.9562 |
| Dice metric | 0.9552 |
| MW: | 141.26 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM255329
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| Tanimoto metric | 0.8889 |
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| Cosine metric | 0.9428 |
| Dice metric | 0.9412 |
| MW: | 141.26 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.18 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM305655
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Similarity to MM305655
| Tanimoto metric | 0.8649 |
|---|---|
| Cosine metric | 0.93 |
| Dice metric | 0.9275 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+646 more
