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DocumentationIdentifier: MM245948
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM245948 |
| SMILES |
C=C(CC(O)CO)C(C)C
|
| InChIKey |
INUOCBXFRXFAOF-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
0.94
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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MM141937
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Similarity to MM141937
| Tanimoto metric | 0.7843 |
|---|---|
| Cosine metric | 0.8856 |
| Dice metric | 0.8791 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8801 |
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| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.97 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM262395
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| Tanimoto metric | 0.7339 |
|---|---|
| Cosine metric | 0.8492 |
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| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+569 more
