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DocumentationIdentifier: MM279412
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM279412 |
| SMILES |
CC=CC(C)NCC=CF
|
| InChIKey |
XDKOZONTTDQMQX-UHFFFAOYSA-N
|
| MW [Da] |
143.21
Automatically obtained from RDkit software. |
| LogP |
2.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157202
Similarity: 0.7945
Similarity to MM157202
| Tanimoto metric | 0.7945 |
|---|---|
| Cosine metric | 0.8914 |
| Dice metric | 0.8855 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM279411
Similarity: 0.7733
Similarity to MM279411
| Tanimoto metric | 0.7733 |
|---|---|
| Cosine metric | 0.8764 |
| Dice metric | 0.8722 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM167307
Similarity: 0.7671
Similarity to MM167307
| Tanimoto metric | 0.7671 |
|---|---|
| Cosine metric | 0.8759 |
| Dice metric | 0.8682 |
| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+685 more
