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DocumentationIdentifier: MM345741
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM345741 |
| SMILES |
C=CC(CC=CF)CCO
|
| InChIKey |
MQNOPIYGOZCNMQ-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
2.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM345459
Similarity: 0.8191
Similarity to MM345459
| Tanimoto metric | 0.8191 |
|---|---|
| Cosine metric | 0.9006 |
| Dice metric | 0.9006 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM345132
Similarity: 0.7529
Similarity to MM345132
| Tanimoto metric | 0.7529 |
|---|---|
| Cosine metric | 0.8677 |
| Dice metric | 0.8591 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199489
Similarity: 0.6941
Similarity to MM199489
| Tanimoto metric | 0.6941 |
|---|---|
| Cosine metric | 0.8331 |
| Dice metric | 0.8194 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+384 more
