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DocumentationIdentifier: MM363993
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM363993 |
| SMILES |
CC(C#N)NCCCC#N
|
| InChIKey |
UZTDPIFZTWQCEM-UHFFFAOYSA-N
|
| MW [Da] |
137.19
Automatically obtained from RDkit software. |
| LogP |
0.79
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM165999
Similarity: 0.9104
Similarity to MM165999
| Tanimoto metric | 0.9104 |
|---|---|
| Cosine metric | 0.9542 |
| Dice metric | 0.9531 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM363695
Similarity: 0.8243
Similarity to MM363695
| Tanimoto metric | 0.8243 |
|---|---|
| Cosine metric | 0.9037 |
| Dice metric | 0.9037 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM364164
Similarity: 0.7625
Similarity to MM364164
| Tanimoto metric | 0.7625 |
|---|---|
| Cosine metric | 0.8663 |
| Dice metric | 0.8652 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+459 more
