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DocumentationIdentifier: MM51705
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM51705 |
| SMILES |
CNCC#CC(F)C(C)O
|
| InChIKey |
DUSKHKBUDBCYEZ-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
-0.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM46599
Similarity: 0.8596
Similarity to MM46599
| Tanimoto metric | 0.8596 |
|---|---|
| Cosine metric | 0.9272 |
| Dice metric | 0.9245 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46570
Similarity: 0.705
Similarity to MM46570
| Tanimoto metric | 0.705 |
|---|---|
| Cosine metric | 0.8276 |
| Dice metric | 0.827 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51576
Similarity: 0.6972
Similarity to MM51576
| Tanimoto metric | 0.6972 |
|---|---|
| Cosine metric | 0.8228 |
| Dice metric | 0.8216 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+403 more
