Identifier: MM179362
2D Structure
3D Structure
Source:
General | |
Identifier | MM179362 |
SMILES |
C#CC(=CC=O)NC=N
|
InChIKey |
IMNFPWHWPGXWBW-UHFFFAOYSA-N
|
MW [Da] |
122.13
Automatically obtained from RDkit software. |
LogP |
-0.1
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
MM46095
Similarity: 0.8261
Similarity to MM46095
Tanimoto metric | 0.8261 |
---|---|
Cosine metric | 0.9089 |
Dice metric | 0.9048 |
MW: | 136.15 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | -0.05 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM90584
Similarity: 0.7579
Similarity to MM90584
Tanimoto metric | 0.7579 |
---|---|
Cosine metric | 0.8706 |
Dice metric | 0.8623 |
MW: | 108.14 |
||||
---|---|---|---|---|---|
PI: | 1
Total passive interactions
|
LogP: | 0.72 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM67861
Similarity: 0.7143
Similarity to MM67861
Tanimoto metric | 0.7143 |
---|---|
Cosine metric | 0.8452 |
Dice metric | 0.8333 |
MW: | 136.15 |
||||
---|---|---|---|---|---|
PI: | 1
Total passive interactions
|
LogP: | 0.24 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+203 more