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DocumentationIdentifier: MM355429
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM355429 |
| SMILES |
COCCC(F)CCC=O
|
| InChIKey |
RRLUGTLCIPGCIQ-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
MM155736
Similarity: 0.8095
Similarity to MM155736
| Tanimoto metric | 0.8095 |
|---|---|
| Cosine metric | 0.8997 |
| Dice metric | 0.8947 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355344
Similarity: 0.6771
Similarity to MM355344
| Tanimoto metric | 0.6771 |
|---|---|
| Cosine metric | 0.8082 |
| Dice metric | 0.8075 |
| MW: | 152.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM274779
Similarity: 0.6355
Similarity to MM274779
| Tanimoto metric | 0.6355 |
|---|---|
| Cosine metric | 0.7778 |
| Dice metric | 0.7771 |
| MW: | 148.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+369 more
