Identifier: MM121276
2D Structure
3D Structure
Source:
General | |
Identifier | MM121276 |
SMILES |
CC(N)C=CC1CN1
|
InChIKey |
IETXBSILHPORGY-UHFFFAOYSA-N
|
MW [Da] |
112.18
Automatically obtained from RDkit software. |
LogP |
-0.14
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
MM209306
Similarity: 0.8471
Similarity to MM209306
Tanimoto metric | 0.8471 |
---|---|
Cosine metric | 0.9204 |
Dice metric | 0.9172 |
MW: | 126.2 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 0.12 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM209301
Similarity: 0.8276
Similarity to MM209301
Tanimoto metric | 0.8276 |
---|---|
Cosine metric | 0.9097 |
Dice metric | 0.9057 |
MW: | 127.19 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | -1.2 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM127236
Similarity: 0.8133
Similarity to MM127236
Tanimoto metric | 0.8133 |
---|---|
Cosine metric | 0.8986 |
Dice metric | 0.8971 |
MW: | 112.18 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | -0.27 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+166 more