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DocumentationIdentifier: MM254560
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM254560 |
| SMILES |
CC(=O)CCC(O)C(C)C
|
| InChIKey |
VWEXEHRUDBDVEF-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
MM250613
Similarity: 0.7614
Similarity to MM250613
| Tanimoto metric | 0.7614 |
|---|---|
| Cosine metric | 0.8686 |
| Dice metric | 0.8645 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM365472
Similarity: 0.7222
Similarity to MM365472
| Tanimoto metric | 0.7222 |
|---|---|
| Cosine metric | 0.8427 |
| Dice metric | 0.8387 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM250726
Similarity: 0.7128
Similarity to MM250726
| Tanimoto metric | 0.7128 |
|---|---|
| Cosine metric | 0.8336 |
| Dice metric | 0.8323 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+395 more
