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DocumentationIdentifier: MM64832
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM64832 |
| SMILES |
C#CC(CNCC)OC
|
| InChIKey |
FRMUVBXSAKHDRQ-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
0.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM403783
Similarity: 0.9043
Similarity to MM403783
| Tanimoto metric | 0.9043 |
|---|---|
| Cosine metric | 0.9509 |
| Dice metric | 0.9497 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM403787
Similarity: 0.8947
Similarity to MM403787
| Tanimoto metric | 0.8947 |
|---|---|
| Cosine metric | 0.9459 |
| Dice metric | 0.9444 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM56786
Similarity: 0.8416
Similarity to MM56786
| Tanimoto metric | 0.8416 |
|---|---|
| Cosine metric | 0.9174 |
| Dice metric | 0.914 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+523 more
