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DocumentationIdentifier: MM236636
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM236636 |
| SMILES |
N#CCCC(F)CC(=O)O
|
| InChIKey |
HTQLBAPNEPXXQQ-UHFFFAOYSA-N
|
| MW [Da] |
145.13
Automatically obtained from RDkit software. |
| LogP |
1.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM135196
Similarity: 0.7925
Similarity to MM135196
| Tanimoto metric | 0.7925 |
|---|---|
| Cosine metric | 0.8902 |
| Dice metric | 0.8842 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM274779
Similarity: 0.7434
Similarity to MM274779
| Tanimoto metric | 0.7434 |
|---|---|
| Cosine metric | 0.8553 |
| Dice metric | 0.8528 |
| MW: | 148.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM236566
Similarity: 0.7143
Similarity to MM236566
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.834 |
| Dice metric | 0.8333 |
| MW: | 152.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+74 more
