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DocumentationIdentifier: MM371349
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM371349 |
| SMILES |
CCOC=CC=C(C)CN
|
| InChIKey |
ZYPXXPWVUGDKSU-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.44
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: 0.859
Similarity to MM171436
| Tanimoto metric | 0.859 |
|---|---|
| Cosine metric | 0.9268 |
| Dice metric | 0.9241 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM371408
Similarity: 0.8
Similarity to MM371408
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8891 |
| Dice metric | 0.8889 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM72400
Similarity: 0.7283
Similarity to MM72400
| Tanimoto metric | 0.7283 |
|---|---|
| Cosine metric | 0.8429 |
| Dice metric | 0.8428 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+605 more
