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DocumentationIdentifier: MM100949
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM100949 |
| SMILES |
COC=CC=CF
|
| InChIKey |
WWDSQMBHQDDDRH-UHFFFAOYSA-N
|
| MW [Da] |
102.11
Automatically obtained from RDkit software. |
| LogP |
1.63
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 | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 114.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM126724
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| Tanimoto metric | 0.766 |
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| Cosine metric | 0.8752 |
| Dice metric | 0.8675 |
| MW: | 116.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.02 |
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|---|---|---|---|---|---|
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MM453368
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Similarity to MM453368
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+335 more
