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DocumentationIdentifier: MM88439
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM88439 |
| SMILES |
O=CCC(=CF)OCCO
|
| InChIKey |
DHWOFCGHGFTPEX-UHFFFAOYSA-N
|
| MW [Da] |
148.13
Automatically obtained from RDkit software. |
| LogP |
0.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM411342
Similarity: 0.6992
Similarity to MM411342
| Tanimoto metric | 0.6992 |
|---|---|
| Cosine metric | 0.8246 |
| Dice metric | 0.823 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM273231
Similarity: 0.6525
Similarity to MM273231
| Tanimoto metric | 0.6525 |
|---|---|
| Cosine metric | 0.7906 |
| Dice metric | 0.7897 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM37972
Similarity: 0.6486
Similarity to MM37972
| Tanimoto metric | 0.6486 |
|---|---|
| Cosine metric | 0.8054 |
| Dice metric | 0.7869 |
| MW: | 118.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+205 more
