Identifier: MM199934
2D Structure
3D Structure
Source:
General | |
Identifier | MM199934 |
SMILES |
C=COCC(=CC)CN
|
InChIKey |
LTDQLWIBCFGBCV-UHFFFAOYSA-N
|
MW [Da] |
127.19
Automatically obtained from RDkit software. |
LogP |
1.05
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
MM415921
Similarity: 0.8687
Similarity to MM415921
Tanimoto metric | 0.8687 |
---|---|
Cosine metric | 0.932 |
Dice metric | 0.9297 |
MW: | 141.21 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 1.44 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM415927
Similarity: 0.819
Similarity to MM415927
Tanimoto metric | 0.819 |
---|---|
Cosine metric | 0.905 |
Dice metric | 0.9005 |
MW: | 145.18 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 1.35 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM381998
Similarity: 0.7963
Similarity to MM381998
Tanimoto metric | 0.7963 |
---|---|
Cosine metric | 0.8924 |
Dice metric | 0.8866 |
MW: | 137.18 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 0.66 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+487 more