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DocumentationIdentifier: MM246558
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM246558 |
| SMILES |
C#CC(=C)NC(=N)C(C)C
|
| InChIKey |
CTVMKMOSHPWVPG-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142795
Similarity: 0.816
Similarity to MM142795
| Tanimoto metric | 0.816 |
|---|---|
| Cosine metric | 0.9033 |
| Dice metric | 0.8987 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM133897
Similarity: 0.768
Similarity to MM133897
| Tanimoto metric | 0.768 |
|---|---|
| Cosine metric | 0.8764 |
| Dice metric | 0.8688 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM263785
Similarity: 0.7103
Similarity to MM263785
| Tanimoto metric | 0.7103 |
|---|---|
| Cosine metric | 0.8307 |
| Dice metric | 0.8306 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+395 more
