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DocumentationIdentifier: MM420836
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM420836 |
| SMILES |
CNCCC=CC1CN1C
|
| InChIKey |
IGSSVSAHRIPZOP-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
0.47
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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MM195689
Similarity: 1
Similarity to MM195689
| Tanimoto metric | 1 |
|---|---|
| Cosine metric | 1 |
| Dice metric | 1 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM124918
Similarity: 0.9255
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| Tanimoto metric | 0.9255 |
|---|---|
| Cosine metric | 0.962 |
| Dice metric | 0.9613 |
| MW: | 111.19 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM195688
Similarity: 0.8365
Similarity to MM195688
| Tanimoto metric | 0.8365 |
|---|---|
| Cosine metric | 0.9111 |
| Dice metric | 0.911 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+325 more
