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DocumentationIdentifier: MM450578
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM450578 |
| SMILES |
CCC#CCNC=NCC
|
| InChIKey |
NZHWWNWMSYXSLV-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM214129
Similarity: 0.8209
Similarity to MM214129
| Tanimoto metric | 0.8209 |
|---|---|
| Cosine metric | 0.906 |
| Dice metric | 0.9016 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM454240
Similarity: 0.7867
Similarity to MM454240
| Tanimoto metric | 0.7867 |
|---|---|
| Cosine metric | 0.8806 |
| Dice metric | 0.8806 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM67885
Similarity: 0.7534
Similarity to MM67885
| Tanimoto metric | 0.7534 |
|---|---|
| Cosine metric | 0.8603 |
| Dice metric | 0.8594 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+410 more
