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DocumentationIdentifier: MM365648
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM365648 |
| SMILES |
C=C(C=O)OCCCCF
|
| InChIKey |
WBCNEEDTAACRMQ-UHFFFAOYSA-N
|
| MW [Da] |
146.16
Automatically obtained from RDkit software. |
| LogP |
1.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM166892
Similarity: 0.8315
Similarity to MM166892
| Tanimoto metric | 0.8315 |
|---|---|
| Cosine metric | 0.9118 |
| Dice metric | 0.908 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM152719
Similarity: 0.7416
Similarity to MM152719
| Tanimoto metric | 0.7416 |
|---|---|
| Cosine metric | 0.8611 |
| Dice metric | 0.8516 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM365847
Similarity: 0.7048
Similarity to MM365847
| Tanimoto metric | 0.7048 |
|---|---|
| Cosine metric | 0.8268 |
| Dice metric | 0.8268 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+567 more
