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DocumentationIdentifier: MM368642
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM368642 |
| SMILES |
C#CC=CCCN(C)C=N
|
| InChIKey |
RORCDENXINGBRN-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167318
Similarity: 0.8205
Similarity to MM167318
| Tanimoto metric | 0.8205 |
|---|---|
| Cosine metric | 0.9058 |
| Dice metric | 0.9014 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368353
Similarity: 0.7711
Similarity to MM368353
| Tanimoto metric | 0.7711 |
|---|---|
| Cosine metric | 0.8724 |
| Dice metric | 0.8707 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM260497
Similarity: 0.7273
Similarity to MM260497
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8424 |
| Dice metric | 0.8421 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+231 more
