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DocumentationIdentifier: MM371408
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM371408 |
| SMILES |
C=COC=CC=C(C)CN
|
| InChIKey |
ASHYUXAOXDTWRX-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171436
Similarity: 0.8933
Similarity to MM171436
| Tanimoto metric | 0.8933 |
|---|---|
| Cosine metric | 0.9452 |
| Dice metric | 0.9437 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM371349
Similarity: 0.8
Similarity to MM371349
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8891 |
| Dice metric | 0.8889 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM72400
Similarity: 0.7528
Similarity to MM72400
| Tanimoto metric | 0.7528 |
|---|---|
| Cosine metric | 0.8596 |
| Dice metric | 0.859 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+435 more
