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DocumentationIdentifier: MM59054
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM59054 |
| SMILES |
C#CCC(C)(O)COC=O
|
| InChIKey |
NVEIBNMAEUFDHH-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
-0.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM45820
Similarity: 0.6638
Similarity to MM45820
| Tanimoto metric | 0.6638 |
|---|---|
| Cosine metric | 0.8147 |
| Dice metric | 0.7979 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM308134
Similarity: 0.6589
Similarity to MM308134
| Tanimoto metric | 0.6589 |
|---|---|
| Cosine metric | 0.7972 |
| Dice metric | 0.7944 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84579
Similarity: 0.6397
Similarity to MM84579
| Tanimoto metric | 0.6397 |
|---|---|
| Cosine metric | 0.7809 |
| Dice metric | 0.7803 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+59 more
