Identifier: MM83975
2D Structure
3D Structure
Source:
General | |
Identifier | MM83975 |
SMILES |
O=CC#CC(=O)OCCO
|
InChIKey |
BOBHHGBXZUYHRT-UHFFFAOYSA-N
|
MW [Da] |
142.11
Automatically obtained from RDkit software. |
LogP |
-1.28
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
MM46530
Similarity: 0.8652
Similarity to MM46530
Tanimoto metric | 0.8652 |
---|---|
Cosine metric | 0.9301 |
Dice metric | 0.9277 |
MW: | 128.13 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | -0.45 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM358656
Similarity: 0.8144
Similarity to MM358656
Tanimoto metric | 0.8144 |
---|---|
Cosine metric | 0.8978 |
Dice metric | 0.8977 |
MW: | 144.13 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | -1.48 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM279600
Similarity: 0.7778
Similarity to MM279600
Tanimoto metric | 0.7778 |
---|---|
Cosine metric | 0.8751 |
Dice metric | 0.875 |
MW: | 142.15 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 0.2 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+308 more