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DocumentationIdentifier: MM409074
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM409074 |
| SMILES |
C=CCC(=C)C(C=C)CN
|
| InChIKey |
GIAJEPDVYKOARL-UHFFFAOYSA-N
|
| MW [Da] |
137.23
Automatically obtained from RDkit software. |
| LogP |
1.88
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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MM197275
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| Tanimoto metric | 0.86 |
|---|---|
| Cosine metric | 0.9274 |
| Dice metric | 0.9247 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM408492
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| Tanimoto metric | 0.8273 |
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| Cosine metric | 0.9055 |
| Dice metric | 0.9055 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.65 |
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|---|---|---|---|---|---|
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Total active interactions
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MM173049
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| Tanimoto metric | 0.76 |
|---|---|
| Cosine metric | 0.8718 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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