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DocumentationIdentifier: MM144251
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM144251 |
| SMILES |
C=C(C)CCC(F)CC
|
| InChIKey |
ZTXKMBNBEJCYGE-UHFFFAOYSA-N
|
| MW [Da] |
130.21
Automatically obtained from RDkit software. |
| LogP |
3.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM250729
Similarity: 0.8831
Similarity to MM250729
| Tanimoto metric | 0.8831 |
|---|---|
| Cosine metric | 0.9397 |
| Dice metric | 0.9379 |
| MW: | 142.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM316328
Similarity: 0.8608
Similarity to MM316328
| Tanimoto metric | 0.8608 |
|---|---|
| Cosine metric | 0.9278 |
| Dice metric | 0.9252 |
| MW: | 144.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM250619
Similarity: 0.8395
Similarity to MM250619
| Tanimoto metric | 0.8395 |
|---|---|
| Cosine metric | 0.9162 |
| Dice metric | 0.9128 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+602 more
