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DocumentationIdentifier: MM370601
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM370601 |
| SMILES |
C#CC#CCCN(C)C=N
|
| InChIKey |
AHVFYDXXRUGXBU-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
0.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167676
Similarity: 0.8667
Similarity to MM167676
| Tanimoto metric | 0.8667 |
|---|---|
| Cosine metric | 0.9309 |
| Dice metric | 0.9286 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370470
Similarity: 0.8125
Similarity to MM370470
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.8971 |
| Dice metric | 0.8966 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370472
Similarity: 0.8049
Similarity to MM370472
| Tanimoto metric | 0.8049 |
|---|---|
| Cosine metric | 0.892 |
| Dice metric | 0.8919 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+169 more
