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DocumentationIdentifier: MM71378
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM71378 |
| SMILES |
C#CC=C(CN)NC=NC
|
| InChIKey |
IHTLWIJTLQMHGY-UHFFFAOYSA-N
|
| MW [Da] |
137.19
Automatically obtained from RDkit software. |
| LogP |
-0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179067
Similarity: 0.8319
Similarity to MM179067
| Tanimoto metric | 0.8319 |
|---|---|
| Cosine metric | 0.9121 |
| Dice metric | 0.9082 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM92573
Similarity: 0.7699
Similarity to MM92573
| Tanimoto metric | 0.7699 |
|---|---|
| Cosine metric | 0.8774 |
| Dice metric | 0.87 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM93556
Similarity: 0.7068
Similarity to MM93556
| Tanimoto metric | 0.7068 |
|---|---|
| Cosine metric | 0.8282 |
| Dice metric | 0.8282 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+208 more
