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DocumentationIdentifier: MM296702
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM296702 |
| SMILES |
CC(C)C(C)C(C)OC=O
|
| InChIKey |
XCQSNISBXPCDPE-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.84
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171981
Similarity: 0.79
Similarity to MM171981
| Tanimoto metric | 0.79 |
|---|---|
| Cosine metric | 0.8888 |
| Dice metric | 0.8827 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM135135
Similarity: 0.7
Similarity to MM135135
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8235 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261408
Similarity: 0.6271
Similarity to MM261408
| Tanimoto metric | 0.6271 |
|---|---|
| Cosine metric | 0.7715 |
| Dice metric | 0.7708 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+275 more
