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DocumentationIdentifier: MM267512
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM267512 |
| SMILES |
CC(=CC(C)C#N)NC=N
|
| InChIKey |
DNXUWPBFHYUHQQ-UHFFFAOYSA-N
|
| MW [Da] |
137.19
Automatically obtained from RDkit software. |
| LogP |
1.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM136415
Similarity: 0.7232
Similarity to MM136415
| Tanimoto metric | 0.7232 |
|---|---|
| Cosine metric | 0.8504 |
| Dice metric | 0.8394 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM274361
Similarity: 0.6014
Similarity to MM274361
| Tanimoto metric | 0.6014 |
|---|---|
| Cosine metric | 0.7512 |
| Dice metric | 0.7511 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386344
Similarity: 0.5986
Similarity to MM386344
| Tanimoto metric | 0.5986 |
|---|---|
| Cosine metric | 0.749 |
| Dice metric | 0.7489 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+209 more
