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DocumentationIdentifier: MM78459
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM78459 |
| SMILES |
C=CCNC(CN)=NCC
|
| InChIKey |
RPDZCDLQWHCDQG-UHFFFAOYSA-N
|
| MW [Da] |
141.22
Automatically obtained from RDkit software. |
| LogP |
0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM84257
Similarity: 0.8269
Similarity to MM84257
| Tanimoto metric | 0.8269 |
|---|---|
| Cosine metric | 0.9094 |
| Dice metric | 0.9053 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94967
Similarity: 0.7788
Similarity to MM94967
| Tanimoto metric | 0.7788 |
|---|---|
| Cosine metric | 0.8825 |
| Dice metric | 0.8757 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84113
Similarity: 0.7227
Similarity to MM84113
| Tanimoto metric | 0.7227 |
|---|---|
| Cosine metric | 0.8391 |
| Dice metric | 0.839 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+327 more
