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DocumentationIdentifier: MM387433
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM387433 |
| SMILES |
C=CCCN(C=O)CC=C
|
| InChIKey |
LTIGMDNHNOVHGG-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.21
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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MM178001
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| Tanimoto metric | 0.8391 |
|---|---|
| Cosine metric | 0.916 |
| Dice metric | 0.9125 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7931 |
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| Cosine metric | 0.8906 |
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.04 |
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|---|---|---|---|---|---|
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Total active interactions
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MM329817
Similarity: 0.7328
Similarity to MM329817
| Tanimoto metric | 0.7328 |
|---|---|
| Cosine metric | 0.8535 |
| Dice metric | 0.8458 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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