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DocumentationIdentifier: MM340352
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM340352 |
| SMILES |
C#CC(C=C)NCC(F)F
|
| InChIKey |
SFHFGKDPKIVSRD-UHFFFAOYSA-N
|
| MW [Da] |
145.15
Automatically obtained from RDkit software. |
| LogP |
1.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144211
Similarity: 0.7021
Similarity to MM144211
| Tanimoto metric | 0.7021 |
|---|---|
| Cosine metric | 0.8379 |
| Dice metric | 0.825 |
| MW: | 133.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM57003
Similarity: 0.6489
Similarity to MM57003
| Tanimoto metric | 0.6489 |
|---|---|
| Cosine metric | 0.8056 |
| Dice metric | 0.7871 |
| MW: | 109.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM340219
Similarity: 0.6337
Similarity to MM340219
| Tanimoto metric | 0.6337 |
|---|---|
| Cosine metric | 0.7834 |
| Dice metric | 0.7758 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+162 more
