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DocumentationIdentifier: MM353171
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM353171 |
| SMILES |
C#CC(N)C(O)C(C)=CF
|
| InChIKey |
FGSILMNIDFUUDP-UHFFFAOYSA-N
|
| MW [Da] |
143.16
Automatically obtained from RDkit software. |
| LogP |
0.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160310
Similarity: 0.7288
Similarity to MM160310
| Tanimoto metric | 0.7288 |
|---|---|
| Cosine metric | 0.8537 |
| Dice metric | 0.8431 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349854
Similarity: 0.6553
Similarity to MM349854
| Tanimoto metric | 0.6553 |
|---|---|
| Cosine metric | 0.7924 |
| Dice metric | 0.7918 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM174095
Similarity: 0.6384
Similarity to MM174095
| Tanimoto metric | 0.6384 |
|---|---|
| Cosine metric | 0.799 |
| Dice metric | 0.7793 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+176 more
