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DocumentationIdentifier: MM173555
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM173555 |
| SMILES |
C#CC(C)C(=N)NC=C
|
| InChIKey |
BNWBNMMBXZJOAU-UHFFFAOYSA-N
|
| MW [Da] |
122.17
Automatically obtained from RDkit software. |
| LogP |
0.97
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM61192
Similarity: 0.8981
Similarity to MM61192
| Tanimoto metric | 0.8981 |
|---|---|
| Cosine metric | 0.9477 |
| Dice metric | 0.9463 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM353830
Similarity: 0.8151
Similarity to MM353830
| Tanimoto metric | 0.8151 |
|---|---|
| Cosine metric | 0.9028 |
| Dice metric | 0.8981 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295429
Similarity: 0.8083
Similarity to MM295429
| Tanimoto metric | 0.8083 |
|---|---|
| Cosine metric | 0.8991 |
| Dice metric | 0.894 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+384 more
