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DocumentationIdentifier: MM375449
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM375449 |
| SMILES |
C#CCNC=NC(C)=CC
|
| InChIKey |
IZAFXXJMCVXDBP-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM375275
Similarity: 0.7374
Similarity to MM375275
| Tanimoto metric | 0.7374 |
|---|---|
| Cosine metric | 0.8494 |
| Dice metric | 0.8488 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM259467
Similarity: 0.7157
Similarity to MM259467
| Tanimoto metric | 0.7157 |
|---|---|
| Cosine metric | 0.8344 |
| Dice metric | 0.8343 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM375400
Similarity: 0.7019
Similarity to MM375400
| Tanimoto metric | 0.7019 |
|---|---|
| Cosine metric | 0.8249 |
| Dice metric | 0.8249 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+95 more
