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DocumentationIdentifier: MM392567
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM392567 |
| SMILES |
CCCNC(C#N)C(C)C
|
| InChIKey |
HQKLCGHGRDTJCW-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
1.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM392687
Similarity: 0.8384
Similarity to MM392687
| Tanimoto metric | 0.8384 |
|---|---|
| Cosine metric | 0.9121 |
| Dice metric | 0.9121 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM274985
Similarity: 0.81
Similarity to MM274985
| Tanimoto metric | 0.81 |
|---|---|
| Cosine metric | 0.895 |
| Dice metric | 0.895 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM198843
Similarity: 0.7582
Similarity to MM198843
| Tanimoto metric | 0.7582 |
|---|---|
| Cosine metric | 0.8708 |
| Dice metric | 0.8625 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+310 more
