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DocumentationIdentifier: MM357796
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM357796 |
| SMILES |
C=CC=CC(=C)CCC=O
|
| InChIKey |
RZBCUONGSGBREM-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
2.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157290
Similarity: 0.8481
Similarity to MM157290
| Tanimoto metric | 0.8481 |
|---|---|
| Cosine metric | 0.9209 |
| Dice metric | 0.9178 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357726
Similarity: 0.8313
Similarity to MM357726
| Tanimoto metric | 0.8313 |
|---|---|
| Cosine metric | 0.9086 |
| Dice metric | 0.9079 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM157960
Similarity: 0.7595
Similarity to MM157960
| Tanimoto metric | 0.7595 |
|---|---|
| Cosine metric | 0.8715 |
| Dice metric | 0.8633 |
| MW: | 122.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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