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DocumentationIdentifier: MM381348
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM381348 |
| SMILES |
C=CCC(=NC)N(C)C=C
|
| InChIKey |
PVIBIHMIDGNYQA-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM381162
Similarity: 0.6624
Similarity to MM381162
| Tanimoto metric | 0.6624 |
|---|---|
| Cosine metric | 0.797 |
| Dice metric | 0.7969 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM381490
Similarity: 0.6541
Similarity to MM381490
| Tanimoto metric | 0.6541 |
|---|---|
| Cosine metric | 0.791 |
| Dice metric | 0.7909 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM353668
Similarity: 0.6267
Similarity to MM353668
| Tanimoto metric | 0.6267 |
|---|---|
| Cosine metric | 0.7718 |
| Dice metric | 0.7705 |
| MW: | 142.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+431 more
