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DocumentationIdentifier: MM455517
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM455517 |
| SMILES |
CC=C(CO)COC1CC1
|
| InChIKey |
TVLKLCNNEKJCAV-UHFFFAOYSA-N
|
| MW [Da] |
142.2
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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MM209255
Similarity: 0.8131
Similarity to MM209255
| Tanimoto metric | 0.8131 |
|---|---|
| Cosine metric | 0.9017 |
| Dice metric | 0.8969 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM209123
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| Tanimoto metric | 0.7757 |
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| Cosine metric | 0.8807 |
| Dice metric | 0.8737 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM434597
Similarity: 0.725
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| Tanimoto metric | 0.725 |
|---|---|
| Cosine metric | 0.8411 |
| Dice metric | 0.8406 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+134 more
