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DocumentationIdentifier: MM34533
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM34533 |
| SMILES |
N#CCNCC(F)F
|
| InChIKey |
KMAMCALKUHHVSP-UHFFFAOYSA-N
|
| MW [Da] |
120.1
Automatically obtained from RDkit software. |
| LogP |
0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM27013
Similarity: 0.8214
Similarity to MM27013
| Tanimoto metric | 0.8214 |
|---|---|
| Cosine metric | 0.9063 |
| Dice metric | 0.902 |
| MW: | 138.09 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM40922
Similarity: 0.7391
Similarity to MM40922
| Tanimoto metric | 0.7391 |
|---|---|
| Cosine metric | 0.8597 |
| Dice metric | 0.85 |
| MW: | 102.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM135149
Similarity: 0.7077
Similarity to MM135149
| Tanimoto metric | 0.7077 |
|---|---|
| Cosine metric | 0.8412 |
| Dice metric | 0.8288 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+244 more
