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DocumentationIdentifier: MM453525
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM453525 |
| SMILES |
C=CNC=NCC#CCO
|
| InChIKey |
KNWSBYRRGSZTMP-UHFFFAOYSA-N
|
| MW [Da] |
138.17
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
MM215473
Similarity: 0.8194
Similarity to MM215473
| Tanimoto metric | 0.8194 |
|---|---|
| Cosine metric | 0.9052 |
| Dice metric | 0.9008 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM453523
Similarity: 0.7564
Similarity to MM453523
| Tanimoto metric | 0.7564 |
|---|---|
| Cosine metric | 0.8624 |
| Dice metric | 0.8613 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM70753
Similarity: 0.7284
Similarity to MM70753
| Tanimoto metric | 0.7284 |
|---|---|
| Cosine metric | 0.8432 |
| Dice metric | 0.8429 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+30 more
