Identifier: MM106500
2D Structure
3D Structure
Source:
General | |
Identifier | MM106500 |
SMILES |
CC=CC#CC(=O)O
|
InChIKey |
JXPZIFVOEQOMAW-UHFFFAOYSA-N
|
MW [Da] |
110.11
Automatically obtained from RDkit software. |
LogP |
0.65
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
MM154752
Similarity: 0.875
Similarity to MM154752
Tanimoto metric | 0.875 |
---|---|
Cosine metric | 0.9354 |
Dice metric | 0.9333 |
MW: | 120.11 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 0.26 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
6-hydroxyhex-4-en-2-ynoic Acid
Similarity: 0.8485
Similarity to 6-hydroxyhex-4-en-2-ynoic Acid
Tanimoto metric | 0.8485 |
---|---|
Cosine metric | 0.9211 |
Dice metric | 0.918 |
MW: | 126.11 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | -0.38 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM154743
Similarity: 0.8235
Similarity to MM154743
Tanimoto metric | 0.8235 |
---|---|
Cosine metric | 0.9075 |
Dice metric | 0.9032 |
MW: | 122.12 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 0.82 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+174 more