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DocumentationIdentifier: MM453237
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM453237 |
| SMILES |
CC=CC=CNC=NCC
|
| InChIKey |
DWSJFYLHVJVADP-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM452944
Similarity: 0.7403
Similarity to MM452944
| Tanimoto metric | 0.7403 |
|---|---|
| Cosine metric | 0.8507 |
| Dice metric | 0.8507 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM71356
Similarity: 0.725
Similarity to MM71356
| Tanimoto metric | 0.725 |
|---|---|
| Cosine metric | 0.8409 |
| Dice metric | 0.8406 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM126294
Similarity: 0.7015
Similarity to MM126294
| Tanimoto metric | 0.7015 |
|---|---|
| Cosine metric | 0.8376 |
| Dice metric | 0.8246 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+340 more
