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DocumentationIdentifier: MM375909
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM375909 |
| SMILES |
C#CCC#CCN(C)C=N
|
| InChIKey |
YZWVYIVMQVAKMG-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
0.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM169141
Similarity: 0.8919
Similarity to MM169141
| Tanimoto metric | 0.8919 |
|---|---|
| Cosine metric | 0.9444 |
| Dice metric | 0.9429 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM375819
Similarity: 0.8272
Similarity to MM375819
| Tanimoto metric | 0.8272 |
|---|---|
| Cosine metric | 0.9054 |
| Dice metric | 0.9054 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM375817
Similarity: 0.7952
Similarity to MM375817
| Tanimoto metric | 0.7952 |
|---|---|
| Cosine metric | 0.8859 |
| Dice metric | 0.8859 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+329 more
