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DocumentationIdentifier: MM236731
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM236731 |
| SMILES |
CCCNC(=N)CC(F)F
|
| InChIKey |
RQOVVYYFMHYIGC-UHFFFAOYSA-N
|
| MW [Da] |
150.17
Automatically obtained from RDkit software. |
| LogP |
1.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156139
Similarity: 0.809
Similarity to MM156139
| Tanimoto metric | 0.809 |
|---|---|
| Cosine metric | 0.8994 |
| Dice metric | 0.8944 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM236732
Similarity: 0.7596
Similarity to MM236732
| Tanimoto metric | 0.7596 |
|---|---|
| Cosine metric | 0.8637 |
| Dice metric | 0.8634 |
| MW: | 151.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM236733
Similarity: 0.7248
Similarity to MM236733
| Tanimoto metric | 0.7248 |
|---|---|
| Cosine metric | 0.8416 |
| Dice metric | 0.8404 |
| MW: | 152.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+619 more
