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DocumentationIdentifier: MM81461
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM81461 |
| SMILES |
C=CC(=C)C(N)CCN
|
| InChIKey |
PDKDCBUMMWBFCQ-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
0.4
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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MM92034
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Similarity to MM92034
| Tanimoto metric | 0.8113 |
|---|---|
| Cosine metric | 0.9007 |
| Dice metric | 0.8958 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM81527
Similarity: 0.7818
Similarity to MM81527
| Tanimoto metric | 0.7818 |
|---|---|
| Cosine metric | 0.8842 |
| Dice metric | 0.8776 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.79 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM111840
Similarity: 0.7558
Similarity to MM111840
| Tanimoto metric | 0.7558 |
|---|---|
| Cosine metric | 0.8694 |
| Dice metric | 0.8609 |
| MW: | 111.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+526 more
