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DocumentationIdentifier: MM289242
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM289242 |
| SMILES |
CC(F)C(C#N)NCCO
|
| InChIKey |
LLRISGBNWNSCGA-UHFFFAOYSA-N
|
| MW [Da] |
146.17
Automatically obtained from RDkit software. |
| LogP |
-0.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM392578
Similarity: 0.726
Similarity to MM392578
| Tanimoto metric | 0.726 |
|---|---|
| Cosine metric | 0.8419 |
| Dice metric | 0.8413 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM65089
Similarity: 0.6909
Similarity to MM65089
| Tanimoto metric | 0.6909 |
|---|---|
| Cosine metric | 0.8187 |
| Dice metric | 0.8172 |
| MW: | 146.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM232020
Similarity: 0.6272
Similarity to MM232020
| Tanimoto metric | 0.6272 |
|---|---|
| Cosine metric | 0.7718 |
| Dice metric | 0.7709 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+138 more
