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DocumentationIdentifier: MM374028
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM374028 |
| SMILES |
CC(O)CCCC(F)C#N
|
| InChIKey |
RCHMKFNBHHJIJV-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
1.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM311346
Similarity: 0.8
Similarity to MM311346
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM315535
Similarity: 0.7048
Similarity to MM315535
| Tanimoto metric | 0.7048 |
|---|---|
| Cosine metric | 0.8279 |
| Dice metric | 0.8268 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM315539
Similarity: 0.6909
Similarity to MM315539
| Tanimoto metric | 0.6909 |
|---|---|
| Cosine metric | 0.8202 |
| Dice metric | 0.8172 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+267 more
