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DocumentationIdentifier: MM36908
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM36908 |
| SMILES |
C#CCNC(C)(C#N)CF
|
| InChIKey |
SOEAXUWGUAMQJI-UHFFFAOYSA-N
|
| MW [Da] |
140.16
Automatically obtained from RDkit software. |
| LogP |
0.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199043
Similarity: 0.7257
Similarity to MM199043
| Tanimoto metric | 0.7257 |
|---|---|
| Cosine metric | 0.8519 |
| Dice metric | 0.841 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM93089
Similarity: 0.6815
Similarity to MM93089
| Tanimoto metric | 0.6815 |
|---|---|
| Cosine metric | 0.8106 |
| Dice metric | 0.8106 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41415
Similarity: 0.6372
Similarity to MM41415
| Tanimoto metric | 0.6372 |
|---|---|
| Cosine metric | 0.7982 |
| Dice metric | 0.7784 |
| MW: | 116.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+143 more
