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DocumentationIdentifier: MM180388
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM180388 |
| SMILES |
CC=C(CCN)C(N)=O
|
| InChIKey |
DZXNRTAFHMDNJC-UHFFFAOYSA-N
|
| MW [Da] |
128.18
Automatically obtained from RDkit software. |
| LogP |
-0.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM306270
Similarity: 0.8346
Similarity to MM306270
| Tanimoto metric | 0.8346 |
|---|---|
| Cosine metric | 0.9136 |
| Dice metric | 0.9099 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91417
Similarity: 0.8092
Similarity to MM91417
| Tanimoto metric | 0.8092 |
|---|---|
| Cosine metric | 0.8995 |
| Dice metric | 0.8945 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM307826
Similarity: 0.803
Similarity to MM307826
| Tanimoto metric | 0.803 |
|---|---|
| Cosine metric | 0.8961 |
| Dice metric | 0.8908 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+409 more
