Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM40014
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM40014 |
| SMILES |
CC(C)(O)CCC(=O)O
|
| InChIKey |
PQJUMPXLDAZULJ-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
0.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM224836
Similarity: 0.75
Similarity to MM224836
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM206071
Similarity: 0.7429
Similarity to MM206071
| Tanimoto metric | 0.7429 |
|---|---|
| Cosine metric | 0.8619 |
| Dice metric | 0.8525 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28773
Similarity: 0.7179
Similarity to MM28773
| Tanimoto metric | 0.7179 |
|---|---|
| Cosine metric | 0.8473 |
| Dice metric | 0.8358 |
| MW: | 118.13 |
||||
|---|---|---|---|---|---|
| PI: | 7
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+331 more
