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DocumentationIdentifier: MM444835
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM444835 |
| SMILES |
CC(F)CC(=O)C=C(N)N
|
| InChIKey |
IZTHWFXEDGYYCN-UHFFFAOYSA-N
|
| MW [Da] |
146.17
Automatically obtained from RDkit software. |
| LogP |
0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM428602
Similarity: 0.7281
Similarity to MM428602
| Tanimoto metric | 0.7281 |
|---|---|
| Cosine metric | 0.8533 |
| Dice metric | 0.8426 |
| MW: | 132.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60030
Similarity: 0.7015
Similarity to MM60030
| Tanimoto metric | 0.7015 |
|---|---|
| Cosine metric | 0.8246 |
| Dice metric | 0.8246 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264293
Similarity: 0.6963
Similarity to MM264293
| Tanimoto metric | 0.6963 |
|---|---|
| Cosine metric | 0.821 |
| Dice metric | 0.821 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+333 more
