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DocumentationIdentifier: MM195095
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM195095 |
| SMILES |
CCC(C#N)C1NC1C
|
| InChIKey |
AONGXWUDRVZLME-UHFFFAOYSA-N
|
| MW [Da] |
124.19
Automatically obtained from RDkit software. |
| LogP |
0.9
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM425330
Similarity: 0.882
Similarity to MM425330
| Tanimoto metric | 0.882 |
|---|---|
| Cosine metric | 0.9392 |
| Dice metric | 0.9373 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM314249
Similarity: 0.7889
Similarity to MM314249
| Tanimoto metric | 0.7889 |
|---|---|
| Cosine metric | 0.8882 |
| Dice metric | 0.882 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM427096
Similarity: 0.7585
Similarity to MM427096
| Tanimoto metric | 0.7585 |
|---|---|
| Cosine metric | 0.8709 |
| Dice metric | 0.8626 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+201 more
