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DocumentationIdentifier: MM262433
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM262433 |
| SMILES |
CCCC(=O)CC(C)OC
|
| InChIKey |
DTHPGVOLCGMIBQ-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.78
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142033
Similarity: 0.8763
Similarity to MM142033
| Tanimoto metric | 0.8763 |
|---|---|
| Cosine metric | 0.9361 |
| Dice metric | 0.9341 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262434
Similarity: 0.8476
Similarity to MM262434
| Tanimoto metric | 0.8476 |
|---|---|
| Cosine metric | 0.9175 |
| Dice metric | 0.9175 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328580
Similarity: 0.7807
Similarity to MM328580
| Tanimoto metric | 0.7807 |
|---|---|
| Cosine metric | 0.8777 |
| Dice metric | 0.8768 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+412 more
