Identifier: MM158747
2D Structure
3D Structure
Source:
General | |
Identifier | MM158747 |
SMILES |
C=C(C#CC)C#CC=O
|
InChIKey |
YZXFYFDZUOGZAW-UHFFFAOYSA-N
|
MW [Da] |
118.14
Automatically obtained from RDkit software. |
LogP |
0.77
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
MM37304
Similarity: 0.9
Similarity to MM37304
Tanimoto metric | 0.9 |
---|---|
Cosine metric | 0.9487 |
Dice metric | 0.9474 |
MW: | 104.11 |
||||
---|---|---|---|---|---|
PI: | 1
Total passive interactions
|
LogP: | 0.38 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM360044
Similarity: 0.8451
Similarity to MM360044
Tanimoto metric | 0.8451 |
---|---|
Cosine metric | 0.9193 |
Dice metric | 0.916 |
MW: | 130.15 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 0.93 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM360001
Similarity: 0.8333
Similarity to MM360001
Tanimoto metric | 0.8333 |
---|---|
Cosine metric | 0.9129 |
Dice metric | 0.9091 |
MW: | 132.16 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 1.16 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+432 more