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DocumentationIdentifier: MM172907
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172907 |
| SMILES |
CCC(C)C(=O)CCO
|
| InChIKey |
HSDBEQMNDCVAIY-UHFFFAOYSA-N
|
| MW [Da] |
130.19
Automatically obtained from RDkit software. |
| LogP |
0.98
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172321
Similarity: 0.7927
Similarity to MM172321
| Tanimoto metric | 0.7927 |
|---|---|
| Cosine metric | 0.8845 |
| Dice metric | 0.8844 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293244
Similarity: 0.7129
Similarity to MM293244
| Tanimoto metric | 0.7129 |
|---|---|
| Cosine metric | 0.8443 |
| Dice metric | 0.8324 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM197191
Similarity: 0.7111
Similarity to MM197191
| Tanimoto metric | 0.7111 |
|---|---|
| Cosine metric | 0.8329 |
| Dice metric | 0.8312 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+489 more
