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DocumentationIdentifier: MM301408
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM301408 |
| SMILES |
COCCCC(F)C(C)=O
|
| InChIKey |
GMWFOUOVWZQJFT-UHFFFAOYSA-N
|
| MW [Da] |
148.18
Automatically obtained from RDkit software. |
| LogP |
1.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM363874
Similarity: 0.6491
Similarity to MM363874
| Tanimoto metric | 0.6491 |
|---|---|
| Cosine metric | 0.7894 |
| Dice metric | 0.7872 |
| MW: | 148.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84790
Similarity: 0.6176
Similarity to MM84790
| Tanimoto metric | 0.6176 |
|---|---|
| Cosine metric | 0.7662 |
| Dice metric | 0.7636 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM235157
Similarity: 0.6148
Similarity to MM235157
| Tanimoto metric | 0.6148 |
|---|---|
| Cosine metric | 0.7635 |
| Dice metric | 0.7615 |
| MW: | 152.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+255 more
