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DocumentationIdentifier: MM453523
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM453523 |
| SMILES |
C=CNC=NCC#CCN
|
| InChIKey |
LECRBPDAVYEQSE-UHFFFAOYSA-N
|
| MW [Da] |
137.19
Automatically obtained from RDkit software. |
| LogP |
-0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM215473
Similarity: 0.9077
Similarity to MM215473
| Tanimoto metric | 0.9077 |
|---|---|
| Cosine metric | 0.9527 |
| Dice metric | 0.9516 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM453525
Similarity: 0.7564
Similarity to MM453525
| Tanimoto metric | 0.7564 |
|---|---|
| Cosine metric | 0.8624 |
| Dice metric | 0.8613 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM453527
Similarity: 0.7468
Similarity to MM453527
| Tanimoto metric | 0.7468 |
|---|---|
| Cosine metric | 0.8565 |
| Dice metric | 0.8551 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+111 more
