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DocumentationIdentifier: MM325005
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM325005 |
| SMILES |
CCC(=O)CC=C(C)OC
|
| InChIKey |
CDAGGFAGMIQMCM-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.91
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM253573
Similarity: 0.6992
Similarity to MM253573
| Tanimoto metric | 0.6992 |
|---|---|
| Cosine metric | 0.8231 |
| Dice metric | 0.823 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM346923
Similarity: 0.6984
Similarity to MM346923
| Tanimoto metric | 0.6984 |
|---|---|
| Cosine metric | 0.8225 |
| Dice metric | 0.8224 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM346925
Similarity: 0.6769
Similarity to MM346925
| Tanimoto metric | 0.6769 |
|---|---|
| Cosine metric | 0.8076 |
| Dice metric | 0.8073 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+129 more
