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DocumentationIdentifier: MM104133
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM104133 |
| SMILES |
CC(N)CC(N)CF
|
| InChIKey |
QSPPGKLHGWCGMX-UHFFFAOYSA-N
|
| MW [Da] |
120.17
Automatically obtained from RDkit software. |
| LogP |
0.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM141529
Similarity: 0.931
Similarity to MM141529
| Tanimoto metric | 0.931 |
|---|---|
| Cosine metric | 0.9649 |
| Dice metric | 0.9643 |
| MW: | 138.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM141524
Similarity: 0.7714
Similarity to MM141524
| Tanimoto metric | 0.7714 |
|---|---|
| Cosine metric | 0.8783 |
| Dice metric | 0.871 |
| MW: | 134.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM62957
Similarity: 0.7586
Similarity to MM62957
| Tanimoto metric | 0.7586 |
|---|---|
| Cosine metric | 0.8642 |
| Dice metric | 0.8627 |
| MW: | 123.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+455 more
