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DocumentationIdentifier: MM421866
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM421866 |
| SMILES |
C#CC#CC1CN1C(C)C
|
| InChIKey |
OGPDIPOKMVYOIO-UHFFFAOYSA-N
|
| MW [Da] |
133.19
Automatically obtained from RDkit software. |
| LogP |
0.72
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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MM217357
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| Tanimoto metric | 0.8649 |
|---|---|
| Cosine metric | 0.93 |
| Dice metric | 0.9275 |
| MW: | 119.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8514 |
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| Cosine metric | 0.9227 |
| Dice metric | 0.9197 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM442466
Similarity: 0.8125
Similarity to MM442466
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.8967 |
| Dice metric | 0.8966 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+277 more
