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DocumentationIdentifier: MM335264
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM335264 |
| SMILES |
CC(=O)C(C)C(C)CCO
|
| InChIKey |
YNEAZSUNBVTUCF-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM348712
Similarity: 0.8037
Similarity to MM348712
| Tanimoto metric | 0.8037 |
|---|---|
| Cosine metric | 0.8922 |
| Dice metric | 0.8912 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM317440
Similarity: 0.7609
Similarity to MM317440
| Tanimoto metric | 0.7609 |
|---|---|
| Cosine metric | 0.8723 |
| Dice metric | 0.8642 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160088
Similarity: 0.7174
Similarity to MM160088
| Tanimoto metric | 0.7174 |
|---|---|
| Cosine metric | 0.847 |
| Dice metric | 0.8354 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+328 more
