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DocumentationIdentifier: MM442913
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM442913 |
| SMILES |
C#CCC(C)N1CC1CN
|
| InChIKey |
VSNWMGJEFDNWAP-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
0.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM210625
Similarity: 0.7973
Similarity to MM210625
| Tanimoto metric | 0.7973 |
|---|---|
| Cosine metric | 0.8929 |
| Dice metric | 0.8872 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM424999
Similarity: 0.7468
Similarity to MM424999
| Tanimoto metric | 0.7468 |
|---|---|
| Cosine metric | 0.8573 |
| Dice metric | 0.8551 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM216663
Similarity: 0.7297
Similarity to MM216663
| Tanimoto metric | 0.7297 |
|---|---|
| Cosine metric | 0.8542 |
| Dice metric | 0.8438 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+158 more
