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DocumentationIdentifier: MM194938
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM194938 |
| SMILES |
CC#CC1CN1CCC
|
| InChIKey |
NKWCGHPAISSQAV-UHFFFAOYSA-N
|
| MW [Da] |
123.2
Automatically obtained from RDkit software. |
| LogP |
1.1
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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MM441900
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| Tanimoto metric | 0.9111 |
|---|---|
| Cosine metric | 0.9545 |
| Dice metric | 0.9535 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM441195
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| Tanimoto metric | 0.8849 |
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| Dice metric | 0.9389 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
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| AI: | 0
Total active interactions
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MM128061
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Similarity to MM128061
| Tanimoto metric | 0.8618 |
|---|---|
| Cosine metric | 0.9283 |
| Dice metric | 0.9258 |
| MW: | 109.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+416 more
