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DocumentationIdentifier: MM279463
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM279463 |
| SMILES |
CC#CCCC(C)C=CC
|
| InChIKey |
WWKJIXDSCQMDLU-UHFFFAOYSA-N
|
| MW [Da] |
136.24
Automatically obtained from RDkit software. |
| LogP |
3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157220
Similarity: 0.8493
Similarity to MM157220
| Tanimoto metric | 0.8493 |
|---|---|
| Cosine metric | 0.9216 |
| Dice metric | 0.9185 |
| MW: | 122.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM167663
Similarity: 0.7808
Similarity to MM167663
| Tanimoto metric | 0.7808 |
|---|---|
| Cosine metric | 0.8836 |
| Dice metric | 0.8769 |
| MW: | 122.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370409
Similarity: 0.76
Similarity to MM370409
| Tanimoto metric | 0.76 |
|---|---|
| Cosine metric | 0.8685 |
| Dice metric | 0.8636 |
| MW: | 136.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+771 more
