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DocumentationIdentifier: MM250947
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM250947 |
| SMILES |
C=CCC(=O)CCC(C)O
|
| InChIKey |
VQYDCOQGDQOTJP-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM317407
Similarity: 0.7843
Similarity to MM317407
| Tanimoto metric | 0.7843 |
|---|---|
| Cosine metric | 0.8793 |
| Dice metric | 0.8791 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM45974
Similarity: 0.7528
Similarity to MM45974
| Tanimoto metric | 0.7528 |
|---|---|
| Cosine metric | 0.8676 |
| Dice metric | 0.859 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM43774
Similarity: 0.7416
Similarity to MM43774
| Tanimoto metric | 0.7416 |
|---|---|
| Cosine metric | 0.8611 |
| Dice metric | 0.8516 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+429 more
