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DocumentationIdentifier: MM295638
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM295638 |
| SMILES |
CC(C)=C(CF)CNC=O
|
| InChIKey |
WMSSUFRYUJDPIP-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
1.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM295585
Similarity: 0.7759
Similarity to MM295585
| Tanimoto metric | 0.7759 |
|---|---|
| Cosine metric | 0.8742 |
| Dice metric | 0.8738 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM381992
Similarity: 0.7008
Similarity to MM381992
| Tanimoto metric | 0.7008 |
|---|---|
| Cosine metric | 0.8242 |
| Dice metric | 0.8241 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM309647
Similarity: 0.6698
Similarity to MM309647
| Tanimoto metric | 0.6698 |
|---|---|
| Cosine metric | 0.8184 |
| Dice metric | 0.8023 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+214 more
