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DocumentationIdentifier: MM329297
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM329297 |
| SMILES |
CCC(C#N)NC(=N)CO
|
| InChIKey |
RTEPGMHCHCVDKF-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM328628
Similarity: 0.6312
Similarity to MM328628
| Tanimoto metric | 0.6312 |
|---|---|
| Cosine metric | 0.7815 |
| Dice metric | 0.7739 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM227028
Similarity: 0.625
Similarity to MM227028
| Tanimoto metric | 0.625 |
|---|---|
| Cosine metric | 0.7707 |
| Dice metric | 0.7692 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90415
Similarity: 0.6178
Similarity to MM90415
| Tanimoto metric | 0.6178 |
|---|---|
| Cosine metric | 0.7642 |
| Dice metric | 0.7638 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+130 more
