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DocumentationIdentifier: MM72627
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM72627 |
| SMILES |
C=C(C(C)O)C(C=O)CC
|
| InChIKey |
RIXJCMXCZGTJBK-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM47497
Similarity: 0.7379
Similarity to MM47497
| Tanimoto metric | 0.7379 |
|---|---|
| Cosine metric | 0.859 |
| Dice metric | 0.8492 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM72665
Similarity: 0.6859
Similarity to MM72665
| Tanimoto metric | 0.6859 |
|---|---|
| Cosine metric | 0.818 |
| Dice metric | 0.8137 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM275237
Similarity: 0.6667
Similarity to MM275237
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8005 |
| Dice metric | 0.8 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+250 more
