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DocumentationIdentifier: MM306562
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM306562 |
| SMILES |
CC(C)(F)CCCC(N)=O
|
| InChIKey |
KJDXASHALSEHOT-UHFFFAOYSA-N
|
| MW [Da] |
147.19
Automatically obtained from RDkit software. |
| LogP |
1.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM301502
Similarity: 0.7935
Similarity to MM301502
| Tanimoto metric | 0.7935 |
|---|---|
| Cosine metric | 0.8908 |
| Dice metric | 0.8848 |
| MW: | 133.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM257737
Similarity: 0.6952
Similarity to MM257737
| Tanimoto metric | 0.6952 |
|---|---|
| Cosine metric | 0.8207 |
| Dice metric | 0.8202 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM131516
Similarity: 0.6739
Similarity to MM131516
| Tanimoto metric | 0.6739 |
|---|---|
| Cosine metric | 0.8209 |
| Dice metric | 0.8052 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+505 more
