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DocumentationIdentifier: MM393936
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM393936 |
| SMILES |
N=C(N)C(CN)CC=CF
|
| InChIKey |
HGSPENMEPODJJC-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
0.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162846
Similarity: 0.8
Similarity to MM162846
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 130.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM255907
Similarity: 0.6984
Similarity to MM255907
| Tanimoto metric | 0.6984 |
|---|---|
| Cosine metric | 0.8228 |
| Dice metric | 0.8224 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM235326
Similarity: 0.6742
Similarity to MM235326
| Tanimoto metric | 0.6742 |
|---|---|
| Cosine metric | 0.8054 |
| Dice metric | 0.8054 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+286 more
