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DocumentationIdentifier: MM215537
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM215537 |
| SMILES |
C=CCC=CC=CCF
|
| InChIKey |
HTVCHIJQHXCJJF-UHFFFAOYSA-N
|
| MW [Da] |
126.17
Automatically obtained from RDkit software. |
| LogP |
2.64
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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MM457338
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| Tanimoto metric | 0.8776 |
|---|---|
| Cosine metric | 0.9368 |
| Dice metric | 0.9348 |
| MW: | 144.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM126489
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| Tanimoto metric | 0.8605 |
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| Cosine metric | 0.9276 |
| Dice metric | 0.925 |
| MW: | 114.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.48 |
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|---|---|---|---|---|---|
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Total active interactions
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MM214475
Similarity: 0.7872
Similarity to MM214475
| Tanimoto metric | 0.7872 |
|---|---|
| Cosine metric | 0.8812 |
| Dice metric | 0.881 |
| MW: | 126.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+385 more
