Identifier: MM84039
2D Structure
3D Structure
Source:
General | |
Identifier | MM84039 |
SMILES |
C#CCNC(=O)C#CC=O
|
InChIKey |
LEEAZEQFPDHTFY-UHFFFAOYSA-N
|
MW [Da] |
135.12
Automatically obtained from RDkit software. |
LogP |
-1.06
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
MM46944
Similarity: 0.881
Similarity to MM46944
Tanimoto metric | 0.881 |
---|---|
Cosine metric | 0.9386 |
Dice metric | 0.9367 |
MW: | 125.13 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | -0.68 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM157578
Similarity: 0.8571
Similarity to MM157578
Tanimoto metric | 0.8571 |
---|---|
Cosine metric | 0.9258 |
Dice metric | 0.9231 |
MW: | 121.14 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | -0.24 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM252885
Similarity: 0.7629
Similarity to MM252885
Tanimoto metric | 0.7629 |
---|---|
Cosine metric | 0.8656 |
Dice metric | 0.8655 |
MW: | 140.14 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | -1.39 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+259 more