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DocumentationIdentifier: MM126425
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM126425 |
| SMILES |
N=CNCC#CCN
|
| InChIKey |
HHJKJXXGWNLAJU-UHFFFAOYSA-N
|
| MW [Da] |
111.15
Automatically obtained from RDkit software. |
| LogP |
-0.85
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM215981
Similarity: 0.9545
Similarity to MM215981
| Tanimoto metric | 0.9545 |
|---|---|
| Cosine metric | 0.977 |
| Dice metric | 0.9767 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM100824
Similarity: 0.8571
Similarity to MM100824
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 96.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM458494
Similarity: 0.8077
Similarity to MM458494
| Tanimoto metric | 0.8077 |
|---|---|
| Cosine metric | 0.8987 |
| Dice metric | 0.8936 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+359 more
