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DocumentationIdentifier: MM370697
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM370697 |
| SMILES |
CCC#CCCC(=O)CF
|
| InChIKey |
HFAVBFCHOZMLRG-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
1.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167692
Similarity: 0.9474
Similarity to MM167692
| Tanimoto metric | 0.9474 |
|---|---|
| Cosine metric | 0.9733 |
| Dice metric | 0.973 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370890
Similarity: 0.881
Similarity to MM370890
| Tanimoto metric | 0.881 |
|---|---|
| Cosine metric | 0.9374 |
| Dice metric | 0.9367 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370989
Similarity: 0.8276
Similarity to MM370989
| Tanimoto metric | 0.8276 |
|---|---|
| Cosine metric | 0.9065 |
| Dice metric | 0.9057 |
| MW: | 138.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+366 more
