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DocumentationIdentifier: MM40922
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM40922 |
| SMILES |
N#CCNCCF
|
| InChIKey |
HGRWNOGTAZNYOU-UHFFFAOYSA-N
|
| MW [Da] |
102.11
Automatically obtained from RDkit software. |
| LogP |
0.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM34533
Similarity: 0.7391
Similarity to MM34533
| Tanimoto metric | 0.7391 |
|---|---|
| Cosine metric | 0.8597 |
| Dice metric | 0.85 |
| MW: | 120.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107236
Similarity: 0.68
Similarity to MM107236
| Tanimoto metric | 0.68 |
|---|---|
| Cosine metric | 0.8246 |
| Dice metric | 0.8095 |
| MW: | 116.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM27569
Similarity: 0.6571
Similarity to MM27569
| Tanimoto metric | 0.6571 |
|---|---|
| Cosine metric | 0.8052 |
| Dice metric | 0.7931 |
| MW: | 95.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+201 more
