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DocumentationIdentifier: MM217054
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM217054 |
| SMILES |
NCC=CC1NC1CN
|
| InChIKey |
OBCKHQICZGBUGS-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
-1.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM127948
Similarity: 0.8898
Similarity to MM127948
| Tanimoto metric | 0.8898 |
|---|---|
| Cosine metric | 0.9433 |
| Dice metric | 0.9417 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM447993
Similarity: 0.855
Similarity to MM447993
| Tanimoto metric | 0.855 |
|---|---|
| Cosine metric | 0.9222 |
| Dice metric | 0.9218 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM124908
Similarity: 0.7627
Similarity to MM124908
| Tanimoto metric | 0.7627 |
|---|---|
| Cosine metric | 0.8733 |
| Dice metric | 0.8654 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+270 more
