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DocumentationIdentifier: MM308820
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM308820 |
| SMILES |
CC(C=O)(CF)NCC#N
|
| InChIKey |
GUJGQFLYDPBRRH-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
0.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM40294
Similarity: 0.6283
Similarity to MM40294
| Tanimoto metric | 0.6283 |
|---|---|
| Cosine metric | 0.7927 |
| Dice metric | 0.7717 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41612
Similarity: 0.6283
Similarity to MM41612
| Tanimoto metric | 0.6283 |
|---|---|
| Cosine metric | 0.7927 |
| Dice metric | 0.7717 |
| MW: | 130.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM308214
Similarity: 0.6014
Similarity to MM308214
| Tanimoto metric | 0.6014 |
|---|---|
| Cosine metric | 0.7513 |
| Dice metric | 0.7511 |
| MW: | 148.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+91 more
