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DocumentationIdentifier: MM283948
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM283948 |
| SMILES |
C=CC=C(C)CC=CCC
|
| InChIKey |
KHEFFXXFVDZCTB-UHFFFAOYSA-N
|
| MW [Da] |
136.24
Automatically obtained from RDkit software. |
| LogP |
3.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM284000
Similarity: 0.875
Similarity to MM284000
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9339 |
| Dice metric | 0.9333 |
| MW: | 134.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159088
Similarity: 0.871
Similarity to MM159088
| Tanimoto metric | 0.871 |
|---|---|
| Cosine metric | 0.9333 |
| Dice metric | 0.931 |
| MW: | 122.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM168973
Similarity: 0.8125
Similarity to MM168973
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.8987 |
| Dice metric | 0.8966 |
| MW: | 122.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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