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DocumentationIdentifier: MM362399
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM362399 |
| SMILES |
CC(CCCO)C(F)C#N
|
| InChIKey |
QNMHPMNYILWSBS-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
1.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172059
Similarity: 0.7714
Similarity to MM172059
| Tanimoto metric | 0.7714 |
|---|---|
| Cosine metric | 0.8783 |
| Dice metric | 0.871 |
| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM161923
Similarity: 0.6857
Similarity to MM161923
| Tanimoto metric | 0.6857 |
|---|---|
| Cosine metric | 0.8281 |
| Dice metric | 0.8136 |
| MW: | 134.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348508
Similarity: 0.661
Similarity to MM348508
| Tanimoto metric | 0.661 |
|---|---|
| Cosine metric | 0.798 |
| Dice metric | 0.7959 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+249 more
