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DocumentationIdentifier: MM368668
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM368668 |
| SMILES |
C#CC(C)CNC=NCC
|
| InChIKey |
LXEWJRKKIWFITH-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
0.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167346
Similarity: 0.8933
Similarity to MM167346
| Tanimoto metric | 0.8933 |
|---|---|
| Cosine metric | 0.9452 |
| Dice metric | 0.9437 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM405403
Similarity: 0.8171
Similarity to MM405403
| Tanimoto metric | 0.8171 |
|---|---|
| Cosine metric | 0.8993 |
| Dice metric | 0.8993 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM279642
Similarity: 0.7363
Similarity to MM279642
| Tanimoto metric | 0.7363 |
|---|---|
| Cosine metric | 0.8492 |
| Dice metric | 0.8481 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+395 more
