Log in
Browse 
Membranes
Search
Statistics
Lab
Documentation7-hydroxyhept-4-ynoic Acid
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM03724 |
| SMILES |
O=C(O)CCC#CCCO
|
| InChIKey |
ACYPLZQFTUPVKP-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
10034720
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM153463
Similarity: 0.9375
Similarity to MM153463
| Tanimoto metric | 0.9375 |
|---|---|
| Cosine metric | 0.9682 |
| Dice metric | 0.9677 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM288293
Similarity: 0.9091
Similarity to MM288293
| Tanimoto metric | 0.9091 |
|---|---|
| Cosine metric | 0.9525 |
| Dice metric | 0.9524 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM105953
Similarity: 0.8594
Similarity to MM105953
| Tanimoto metric | 0.8594 |
|---|---|
| Cosine metric | 0.927 |
| Dice metric | 0.9244 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 5
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+497 more
