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DocumentationIdentifier: MM374016
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM374016 |
| SMILES |
C=CC(=C)NC=NCCN
|
| InChIKey |
QCQOLEMYKDWADW-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM168773
Similarity: 0.8765
Similarity to MM168773
| Tanimoto metric | 0.8765 |
|---|---|
| Cosine metric | 0.9362 |
| Dice metric | 0.9342 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM374014
Similarity: 0.7717
Similarity to MM374014
| Tanimoto metric | 0.7717 |
|---|---|
| Cosine metric | 0.8712 |
| Dice metric | 0.8712 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84006
Similarity: 0.7356
Similarity to MM84006
| Tanimoto metric | 0.7356 |
|---|---|
| Cosine metric | 0.8499 |
| Dice metric | 0.8477 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+292 more
