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DocumentationIdentifier: MM144410
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM144410 |
| SMILES |
C=CC(C)CCC(=C)F
|
| InChIKey |
COCBWTDEUANAIT-UHFFFAOYSA-N
|
| MW [Da] |
128.19
Automatically obtained from RDkit software. |
| LogP |
3.07
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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| Tanimoto metric | 0.8904 |
|---|---|
| Cosine metric | 0.9436 |
| Dice metric | 0.942 |
| MW: | 140.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8025 |
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| Cosine metric | 0.8958 |
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 3.46 |
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| AI: | 0
Total active interactions
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MM162247
Similarity: 0.7922
Similarity to MM162247
| Tanimoto metric | 0.7922 |
|---|---|
| Cosine metric | 0.8855 |
| Dice metric | 0.8841 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+556 more
