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DocumentationIdentifier: MM231520
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM231520 |
| SMILES |
CC#CCC(O)C(C)(C)O
|
| InChIKey |
SZSOHIFKQMPRAB-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM40279
Similarity: 0.8019
Similarity to MM40279
| Tanimoto metric | 0.8019 |
|---|---|
| Cosine metric | 0.8955 |
| Dice metric | 0.8901 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM59378
Similarity: 0.7111
Similarity to MM59378
| Tanimoto metric | 0.7111 |
|---|---|
| Cosine metric | 0.834 |
| Dice metric | 0.8312 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305130
Similarity: 0.7064
Similarity to MM305130
| Tanimoto metric | 0.7064 |
|---|---|
| Cosine metric | 0.8362 |
| Dice metric | 0.828 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+327 more
