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DocumentationIdentifier: MM239714
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM239714 |
| SMILES |
C=CCCCC(C)(F)C=O
|
| InChIKey |
VIEGCCZZWMHTQX-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
2.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138343
Similarity: 0.8
Similarity to MM138343
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239611
Similarity: 0.7407
Similarity to MM239611
| Tanimoto metric | 0.7407 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8511 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM228140
Similarity: 0.7031
Similarity to MM228140
| Tanimoto metric | 0.7031 |
|---|---|
| Cosine metric | 0.8285 |
| Dice metric | 0.8257 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+308 more
