Log in
Browse 
Membranes
Search
Statistics
Lab
Documentation3-fluoropentanedial
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM02460 |
| SMILES |
O=CCC(F)CC=O
|
| InChIKey |
MGNIAEGARXOYBA-UHFFFAOYSA-N
|
| MW [Da] |
118.11
Automatically obtained from RDkit software. |
| LogP |
0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
88107892
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM26174
Similarity: 0.9
Similarity to MM26174
| Tanimoto metric | 0.9 |
|---|---|
| Cosine metric | 0.9487 |
| Dice metric | 0.9474 |
| MW: | 104.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
3,3-difluoropentanedial
Similarity: 0.7018
Similarity to 3,3-difluoropentanedial
| Tanimoto metric | 0.7018 |
|---|---|
| Cosine metric | 0.8377 |
| Dice metric | 0.8247 |
| MW: | 136.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM23950
Similarity: 0.7
Similarity to MM23950
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8235 |
| MW: | 90.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+150 more
