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DocumentationIdentifier: MM208995
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM208995 |
| SMILES |
CC(C#N)NCC1CC1
|
| InChIKey |
QAGWNQSQUJEMEF-UHFFFAOYSA-N
|
| MW [Da] |
124.19
Automatically obtained from RDkit software. |
| LogP |
0.9
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM345598
Similarity: 0.8454
Similarity to MM345598
| Tanimoto metric | 0.8454 |
|---|---|
| Cosine metric | 0.9194 |
| Dice metric | 0.9162 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM325126
Similarity: 0.8039
Similarity to MM325126
| Tanimoto metric | 0.8039 |
|---|---|
| Cosine metric | 0.8966 |
| Dice metric | 0.8913 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM127029
Similarity: 0.7561
Similarity to MM127029
| Tanimoto metric | 0.7561 |
|---|---|
| Cosine metric | 0.8695 |
| Dice metric | 0.8611 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+286 more
