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DocumentationIdentifier: MM51576
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM51576 |
| SMILES |
CC(N)C#CC(F)C(C)O
|
| InChIKey |
IHHGWXQKJWDQAJ-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
0.06
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: 0.7717
Similarity to MM46599
| Tanimoto metric | 0.7717 |
|---|---|
| Cosine metric | 0.8784 |
| Dice metric | 0.8711 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51705
Similarity: 0.6972
Similarity to MM51705
| Tanimoto metric | 0.6972 |
|---|---|
| Cosine metric | 0.8228 |
| Dice metric | 0.8216 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM163494
Similarity: 0.6929
Similarity to MM163494
| Tanimoto metric | 0.6929 |
|---|---|
| Cosine metric | 0.8324 |
| Dice metric | 0.8186 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+320 more
