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DocumentationIdentifier: MM125931
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM125931 |
| SMILES |
CC=CCCC=CF
|
| InChIKey |
IRHHXPJCGLLJHO-UHFFFAOYSA-N
|
| MW [Da] |
114.16
Automatically obtained from RDkit software. |
| LogP |
2.83
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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MM213966
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| Tanimoto metric | 0.9048 |
|---|---|
| Cosine metric | 0.9512 |
| Dice metric | 0.95 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8636 |
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| Cosine metric | 0.9293 |
| Dice metric | 0.9268 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 3.61 |
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|---|---|---|---|---|---|
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Total active interactions
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MM214035
Similarity: 0.8444
Similarity to MM214035
| Tanimoto metric | 0.8444 |
|---|---|
| Cosine metric | 0.9189 |
| Dice metric | 0.9157 |
| MW: | 126.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+544 more
