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DocumentationIdentifier: MM96191
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM96191 |
| SMILES |
C=C(F)C(=C)CCNC
|
| InChIKey |
INUJMQGIDDBGPB-UHFFFAOYSA-N
|
| MW [Da] |
129.18
Automatically obtained from RDkit software. |
| LogP |
1.64
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM302631
Similarity: 0.8739
Similarity to MM302631
| Tanimoto metric | 0.8739 |
|---|---|
| Cosine metric | 0.9348 |
| Dice metric | 0.9327 |
| MW: | 143.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM255197
Similarity: 0.8584
Similarity to MM255197
| Tanimoto metric | 0.8584 |
|---|---|
| Cosine metric | 0.9265 |
| Dice metric | 0.9238 |
| MW: | 143.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM302842
Similarity: 0.8291
Similarity to MM302842
| Tanimoto metric | 0.8291 |
|---|---|
| Cosine metric | 0.9105 |
| Dice metric | 0.9065 |
| MW: | 142.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+459 more
