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DocumentationIdentifier: MM264045
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM264045 |
| SMILES |
C#CC(C)CC(C)C=CC
|
| InChIKey |
PELRVTXYYHFFCM-UHFFFAOYSA-N
|
| MW [Da] |
136.24
Automatically obtained from RDkit software. |
| LogP |
2.86
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: 0.8052
Similarity to MM157220
| Tanimoto metric | 0.8052 |
|---|---|
| Cosine metric | 0.8973 |
| Dice metric | 0.8921 |
| MW: | 122.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM141869
Similarity: 0.7662
Similarity to MM141869
| Tanimoto metric | 0.7662 |
|---|---|
| Cosine metric | 0.8753 |
| Dice metric | 0.8676 |
| MW: | 122.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM167338
Similarity: 0.7403
Similarity to MM167338
| Tanimoto metric | 0.7403 |
|---|---|
| Cosine metric | 0.8604 |
| Dice metric | 0.8507 |
| MW: | 122.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+633 more
