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DocumentationIdentifier: MM98573
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM98573 |
| SMILES |
C=CC(=C)C(C)N
|
| InChIKey |
HWUMHERWNVROTQ-UHFFFAOYSA-N
|
| MW [Da] |
97.16
Automatically obtained from RDkit software. |
| LogP |
1.08
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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MM112015
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| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8729 |
| Dice metric | 0.8649 |
| MW: | 109.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM111840
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| Tanimoto metric | 0.7385 |
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| Cosine metric | 0.8593 |
| Dice metric | 0.8496 |
| MW: | 111.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.47 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM108675
Similarity: 0.7164
Similarity to MM108675
| Tanimoto metric | 0.7164 |
|---|---|
| Cosine metric | 0.8464 |
| Dice metric | 0.8348 |
| MW: | 111.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+580 more
