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DocumentationIdentifier: MM367116
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM367116 |
| SMILES |
CC=C(C)C=COCCC
|
| InChIKey |
GNHACMPJBYPBRF-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM170330
Similarity: 0.8861
Similarity to MM170330
| Tanimoto metric | 0.8861 |
|---|---|
| Cosine metric | 0.9413 |
| Dice metric | 0.9396 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM284282
Similarity: 0.7778
Similarity to MM284282
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8751 |
| Dice metric | 0.875 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM154132
Similarity: 0.7722
Similarity to MM154132
| Tanimoto metric | 0.7722 |
|---|---|
| Cosine metric | 0.8787 |
| Dice metric | 0.8714 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+471 more
