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DocumentationIdentifier: MM136401
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM136401 |
| SMILES |
CC(=CC(C)F)CC=O
|
| InChIKey |
MPTPYXOQTXSPHK-UHFFFAOYSA-N
|
| MW [Da] |
130.16
Automatically obtained from RDkit software. |
| LogP |
1.88
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM267342
Similarity: 0.8119
Similarity to MM267342
| Tanimoto metric | 0.8119 |
|---|---|
| Cosine metric | 0.901 |
| Dice metric | 0.8962 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM221423
Similarity: 0.7736
Similarity to MM221423
| Tanimoto metric | 0.7736 |
|---|---|
| Cosine metric | 0.8795 |
| Dice metric | 0.8723 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM221429
Similarity: 0.7664
Similarity to MM221429
| Tanimoto metric | 0.7664 |
|---|---|
| Cosine metric | 0.8754 |
| Dice metric | 0.8677 |
| MW: | 148.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+483 more
