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DocumentationIdentifier: MM272168
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM272168 |
| SMILES |
C#CCN(C=N)CC(C)N
|
| InChIKey |
YEARDHKXECGVLB-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
-0.12
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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MM272092
Similarity: 0.661
Similarity to MM272092
| Tanimoto metric | 0.661 |
|---|---|
| Cosine metric | 0.8001 |
| Dice metric | 0.7959 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM178020
Similarity: 0.6574
Similarity to MM178020
| Tanimoto metric | 0.6574 |
|---|---|
| Cosine metric | 0.8108 |
| Dice metric | 0.7933 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM326847
Similarity: 0.6031
Similarity to MM326847
| Tanimoto metric | 0.6031 |
|---|---|
| Cosine metric | 0.7527 |
| Dice metric | 0.7524 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+211 more
