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DocumentationIdentifier: MM404344
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM404344 |
| SMILES |
N#CCCNC(C#N)C#N
|
| InChIKey |
DMRUHJQIPWPPDO-UHFFFAOYSA-N
|
| MW [Da] |
134.14
Automatically obtained from RDkit software. |
| LogP |
-0.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM166151
Similarity: 0.8769
Similarity to MM166151
| Tanimoto metric | 0.8769 |
|---|---|
| Cosine metric | 0.9364 |
| Dice metric | 0.9344 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90181
Similarity: 0.75
Similarity to MM90181
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8574 |
| Dice metric | 0.8571 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262236
Similarity: 0.7037
Similarity to MM262236
| Tanimoto metric | 0.7037 |
|---|---|
| Cosine metric | 0.8275 |
| Dice metric | 0.8261 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+94 more
