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DocumentationIdentifier: MM272815
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM272815 |
| SMILES |
CC=CC(C=O)N=C(C)N
|
| InChIKey |
WLPHQRHLEBRKOC-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM48966
Similarity: 0.6014
Similarity to MM48966
| Tanimoto metric | 0.6014 |
|---|---|
| Cosine metric | 0.754 |
| Dice metric | 0.7511 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305792
Similarity: 0.5056
Similarity to MM305792
| Tanimoto metric | 0.5056 |
|---|---|
| Cosine metric | 0.6721 |
| Dice metric | 0.6716 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM56702
Similarity: 0.4487
Similarity to MM56702
| Tanimoto metric | 0.4487 |
|---|---|
| Cosine metric | 0.6258 |
| Dice metric | 0.6195 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+6 more
