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DocumentationIdentifier: MM69110
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM69110 |
| SMILES |
N#CCCNC(=N)CC#N
|
| InChIKey |
CSVNFINEQIVWGO-UHFFFAOYSA-N
|
| MW [Da] |
136.16
Automatically obtained from RDkit software. |
| LogP |
0.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM81671
Similarity: 0.8312
Similarity to MM81671
| Tanimoto metric | 0.8312 |
|---|---|
| Cosine metric | 0.9117 |
| Dice metric | 0.9078 |
| MW: | 111.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292416
Similarity: 0.8043
Similarity to MM292416
| Tanimoto metric | 0.8043 |
|---|---|
| Cosine metric | 0.8939 |
| Dice metric | 0.8916 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292145
Similarity: 0.7872
Similarity to MM292145
| Tanimoto metric | 0.7872 |
|---|---|
| Cosine metric | 0.884 |
| Dice metric | 0.881 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+318 more
