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DocumentationIdentifier: MM446303
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM446303 |
| SMILES |
CNCC#CC1C(C)N1C
|
| InChIKey |
BIEPBMWXXRENQG-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
-0.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM212771
Similarity: 0.9671
Similarity to MM212771
| Tanimoto metric | 0.9671 |
|---|---|
| Cosine metric | 0.9834 |
| Dice metric | 0.9833 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM447032
Similarity: 0.8596
Similarity to MM447032
| Tanimoto metric | 0.8596 |
|---|---|
| Cosine metric | 0.9254 |
| Dice metric | 0.9245 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM124224
Similarity: 0.8158
Similarity to MM124224
| Tanimoto metric | 0.8158 |
|---|---|
| Cosine metric | 0.9032 |
| Dice metric | 0.8986 |
| MW: | 109.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+343 more
