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DocumentationIdentifier: MM238034
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM238034 |
| SMILES |
N=C(N)CC(F)=CC=NO
|
| InChIKey |
XYJTUDMEYOWLHR-UHFFFAOYSA-N
|
| MW [Da] |
145.14
Automatically obtained from RDkit software. |
| LogP |
0.63
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM238033
Similarity: 0.7164
Similarity to MM238033
| Tanimoto metric | 0.7164 |
|---|---|
| Cosine metric | 0.8348 |
| Dice metric | 0.8348 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM104724
Similarity: 0.6783
Similarity to MM104724
| Tanimoto metric | 0.6783 |
|---|---|
| Cosine metric | 0.8236 |
| Dice metric | 0.8083 |
| MW: | 116.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM136035
Similarity: 0.6535
Similarity to MM136035
| Tanimoto metric | 0.6535 |
|---|---|
| Cosine metric | 0.7941 |
| Dice metric | 0.7905 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+109 more
