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DocumentationIdentifier: MM447820
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM447820 |
| SMILES |
C#CC#CCN1CC1CC
|
| InChIKey |
HLNRZVHAQHIXGC-UHFFFAOYSA-N
|
| MW [Da] |
133.19
Automatically obtained from RDkit software. |
| LogP |
0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM217019
Similarity: 0.9098
Similarity to MM217019
| Tanimoto metric | 0.9098 |
|---|---|
| Cosine metric | 0.9539 |
| Dice metric | 0.9528 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM447757
Similarity: 0.8538
Similarity to MM447757
| Tanimoto metric | 0.8538 |
|---|---|
| Cosine metric | 0.9212 |
| Dice metric | 0.9212 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM447755
Similarity: 0.8409
Similarity to MM447755
| Tanimoto metric | 0.8409 |
|---|---|
| Cosine metric | 0.9136 |
| Dice metric | 0.9136 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+301 more
