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DocumentationIdentifier: MM47073
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM47073 |
| SMILES |
N#CC=CNC=NCCO
|
| InChIKey |
DJNOYUVCNXBCRK-UHFFFAOYSA-N
|
| MW [Da] |
139.16
Automatically obtained from RDkit software. |
| LogP |
-0.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM214497
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| Tanimoto metric | 0.8133 |
|---|---|
| Cosine metric | 0.9018 |
| Dice metric | 0.8971 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM71356
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| Tanimoto metric | 0.7176 |
|---|---|
| Cosine metric | 0.8359 |
| Dice metric | 0.8356 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM57884
Similarity: 0.6854
Similarity to MM57884
| Tanimoto metric | 0.6854 |
|---|---|
| Cosine metric | 0.8133 |
| Dice metric | 0.8133 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+274 more
