Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM23950
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM23950 |
| SMILES |
CC(F)CC=O
|
| InChIKey |
HIVQUNZRZVIVAF-UHFFFAOYSA-N
|
| MW [Da] |
90.1
Automatically obtained from RDkit software. |
| LogP |
0.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM26174
Similarity: 0.7778
Similarity to MM26174
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 104.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15725
Similarity: 0.7368
Similarity to MM15725
| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.8584 |
| Dice metric | 0.8485 |
| MW: | 104.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
2-fluorobutanal
Similarity: 0.7059
Similarity to 2-fluorobutanal
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8281 |
| Dice metric | 0.8276 |
| MW: | 90.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+200 more
