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DocumentationIdentifier: MM350044
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM350044 |
| SMILES |
C=C(CN)C(O)C(=C)CF
|
| InChIKey |
JUTYCRHEBAFRBH-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
0.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM350046
Similarity: 0.6558
Similarity to MM350046
| Tanimoto metric | 0.6558 |
|---|---|
| Cosine metric | 0.8026 |
| Dice metric | 0.7922 |
| MW: | 148.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60830
Similarity: 0.5611
Similarity to MM60830
| Tanimoto metric | 0.5611 |
|---|---|
| Cosine metric | 0.7199 |
| Dice metric | 0.7189 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142521
Similarity: 0.5473
Similarity to MM142521
| Tanimoto metric | 0.5473 |
|---|---|
| Cosine metric | 0.7398 |
| Dice metric | 0.7074 |
| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+46 more
