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DocumentationIdentifier: MM185047
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM185047 |
| SMILES |
CCC(C)=CC1CN1C
|
| InChIKey |
UDWNERFIDVMRLV-UHFFFAOYSA-N
|
| MW [Da] |
125.22
Automatically obtained from RDkit software. |
| LogP |
1.66
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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MM408754
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| Tanimoto metric | 0.9248 |
|---|---|
| Cosine metric | 0.9617 |
| Dice metric | 0.9609 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8255 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM408760
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Similarity to MM408760
| Tanimoto metric | 0.7785 |
|---|---|
| Cosine metric | 0.8823 |
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| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+333 more
