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DocumentationIdentifier: MM243223
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM243223 |
| SMILES |
C#CCC(C)(C#N)NC=N
|
| InChIKey |
CFICRQPOEKXXJS-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM63822
Similarity: 0.7209
Similarity to MM63822
| Tanimoto metric | 0.7209 |
|---|---|
| Cosine metric | 0.8491 |
| Dice metric | 0.8378 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM63522
Similarity: 0.7054
Similarity to MM63522
| Tanimoto metric | 0.7054 |
|---|---|
| Cosine metric | 0.8399 |
| Dice metric | 0.8273 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM63566
Similarity: 0.6414
Similarity to MM63566
| Tanimoto metric | 0.6414 |
|---|---|
| Cosine metric | 0.7843 |
| Dice metric | 0.7815 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+55 more
