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DocumentationIdentifier: MM447993
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM447993 |
| SMILES |
NCCC=CC1NC1CN
|
| InChIKey |
CEEQDMIVNLIQQL-UHFFFAOYSA-N
|
| MW [Da] |
141.22
Automatically obtained from RDkit software. |
| LogP |
-0.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM217054
Similarity: 0.855
Similarity to MM217054
| Tanimoto metric | 0.855 |
|---|---|
| Cosine metric | 0.9222 |
| Dice metric | 0.9218 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM127948
Similarity: 0.84
Similarity to MM127948
| Tanimoto metric | 0.84 |
|---|---|
| Cosine metric | 0.9165 |
| Dice metric | 0.913 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM448001
Similarity: 0.8369
Similarity to MM448001
| Tanimoto metric | 0.8369 |
|---|---|
| Cosine metric | 0.9117 |
| Dice metric | 0.9112 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+269 more
