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DocumentationIdentifier: MM173792
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM173792 |
| SMILES |
C=CC(=C)C(=C)CCN
|
| InChIKey |
AMNKCWYPZCKIRY-UHFFFAOYSA-N
|
| MW [Da] |
123.2
Automatically obtained from RDkit software. |
| LogP |
1.63
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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MM108450
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| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 111.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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| Tanimoto metric | 0.75 |
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| Cosine metric | 0.866 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.89 |
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|---|---|---|---|---|---|
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MM161258
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Similarity to MM161258
| Tanimoto metric | 0.6957 |
|---|---|
| Cosine metric | 0.823 |
| Dice metric | 0.8205 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+319 more
