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DocumentationIdentifier: MM343815
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM343815 |
| SMILES |
COC(C=CC(N)=O)CN
|
| InChIKey |
IDPNNKXXCKJALQ-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
-1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM145551
Similarity: 0.7438
Similarity to MM145551
| Tanimoto metric | 0.7438 |
|---|---|
| Cosine metric | 0.8624 |
| Dice metric | 0.8531 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM200527
Similarity: 0.6694
Similarity to MM200527
| Tanimoto metric | 0.6694 |
|---|---|
| Cosine metric | 0.8182 |
| Dice metric | 0.802 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM313593
Similarity: 0.6327
Similarity to MM313593
| Tanimoto metric | 0.6327 |
|---|---|
| Cosine metric | 0.775 |
| Dice metric | 0.775 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+210 more
