Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationPent-4-en-2-ynoic Acid
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM01935 |
| SMILES |
C=CC#CC(=O)O
|
| InChIKey |
QGAHRQZEEJOQCN-UHFFFAOYSA-N
|
| MW [Da] |
96.09
Automatically obtained from RDkit software. |
| LogP |
0.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
12805738
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM106500
Similarity: 0.8214
Similarity to MM106500
| Tanimoto metric | 0.8214 |
|---|---|
| Cosine metric | 0.9063 |
| Dice metric | 0.902 |
| MW: | 110.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM106501
Similarity: 0.7419
Similarity to MM106501
| Tanimoto metric | 0.7419 |
|---|---|
| Cosine metric | 0.8614 |
| Dice metric | 0.8519 |
| MW: | 114.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM154752
Similarity: 0.7188
Similarity to MM154752
| Tanimoto metric | 0.7188 |
|---|---|
| Cosine metric | 0.8478 |
| Dice metric | 0.8364 |
| MW: | 120.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+173 more
