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DocumentationIdentifier: MM327973
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM327973 |
| SMILES |
C=CC(C=C)NC(C)C#N
|
| InChIKey |
QJSUIQMAOOLAMB-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.23
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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MM199264
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Similarity to MM199264
| Tanimoto metric | 0.7838 |
|---|---|
| Cosine metric | 0.8853 |
| Dice metric | 0.8788 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7791 |
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| Cosine metric | 0.8763 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM226467
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Similarity to MM226467
| Tanimoto metric | 0.7204 |
|---|---|
| Cosine metric | 0.8399 |
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| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+327 more
