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DocumentationIdentifier: MM325177
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM325177 |
| SMILES |
C=C(CC)OC=C(C)CC
|
| InChIKey |
CNANGWKGUVUUNS-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
3.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM146654
Similarity: 0.8068
Similarity to MM146654
| Tanimoto metric | 0.8068 |
|---|---|
| Cosine metric | 0.8982 |
| Dice metric | 0.8931 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM146422
Similarity: 0.7841
Similarity to MM146422
| Tanimoto metric | 0.7841 |
|---|---|
| Cosine metric | 0.8855 |
| Dice metric | 0.879 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM347006
Similarity: 0.7396
Similarity to MM347006
| Tanimoto metric | 0.7396 |
|---|---|
| Cosine metric | 0.8515 |
| Dice metric | 0.8503 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+552 more
