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DocumentationIdentifier: MM54200
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM54200 |
| SMILES |
O=CCCC(CO)CF
|
| InChIKey |
HICYAXWXGUYXMD-UHFFFAOYSA-N
|
| MW [Da] |
134.15
Automatically obtained from RDkit software. |
| LogP |
0.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM406541
Similarity: 0.7475
Similarity to MM406541
| Tanimoto metric | 0.7475 |
|---|---|
| Cosine metric | 0.8646 |
| Dice metric | 0.8555 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM115897
Similarity: 0.7297
Similarity to MM115897
| Tanimoto metric | 0.7297 |
|---|---|
| Cosine metric | 0.8542 |
| Dice metric | 0.8438 |
| MW: | 120.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM326161
Similarity: 0.6491
Similarity to MM326161
| Tanimoto metric | 0.6491 |
|---|---|
| Cosine metric | 0.8057 |
| Dice metric | 0.7872 |
| MW: | 152.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+346 more
