Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM149890
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM149890 |
| SMILES |
CCC(CC)CC(=O)O
|
| InChIKey |
ATUUSOSLBXVJKL-UHFFFAOYSA-N
|
| MW [Da] |
130.19
Automatically obtained from RDkit software. |
| LogP |
1.9
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM104260
Similarity: 0.918
Similarity to MM104260
| Tanimoto metric | 0.918 |
|---|---|
| Cosine metric | 0.9581 |
| Dice metric | 0.9573 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 5
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM251109
Similarity: 0.7887
Similarity to MM251109
| Tanimoto metric | 0.7887 |
|---|---|
| Cosine metric | 0.8826 |
| Dice metric | 0.8819 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM275017
Similarity: 0.7821
Similarity to MM275017
| Tanimoto metric | 0.7821 |
|---|---|
| Cosine metric | 0.8843 |
| Dice metric | 0.8777 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 5
Total passive interactions
|
| LogP: | 2.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+430 more
