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DocumentationIdentifier: MM212916
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM212916 |
| SMILES |
CCCCCCNC=N
|
| InChIKey |
MXYLYXVSAQZWFI-UHFFFAOYSA-N
|
| MW [Da] |
128.22
Automatically obtained from RDkit software. |
| LogP |
1.76
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM446909
Similarity: 0.96
Similarity to MM446909
| Tanimoto metric | 0.96 |
|---|---|
| Cosine metric | 0.9798 |
| Dice metric | 0.9796 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM125568
Similarity: 0.875
Similarity to MM125568
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM446914
Similarity: 0.8077
Similarity to MM446914
| Tanimoto metric | 0.8077 |
|---|---|
| Cosine metric | 0.8938 |
| Dice metric | 0.8936 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+470 more
