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DocumentationIdentifier: MM338676
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM338676 |
| SMILES |
CCC(=O)CC(C)CCO
|
| InChIKey |
GDDUWYOTVSTTBV-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM318460
Similarity: 0.7396
Similarity to MM318460
| Tanimoto metric | 0.7396 |
|---|---|
| Cosine metric | 0.8503 |
| Dice metric | 0.8503 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM353585
Similarity: 0.7391
Similarity to MM353585
| Tanimoto metric | 0.7391 |
|---|---|
| Cosine metric | 0.8506 |
| Dice metric | 0.85 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328405
Similarity: 0.7157
Similarity to MM328405
| Tanimoto metric | 0.7157 |
|---|---|
| Cosine metric | 0.8354 |
| Dice metric | 0.8343 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+304 more
