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DocumentationIdentifier: MM416553
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM416553 |
| SMILES |
C=CCC(=C)C(=CC)CN
|
| InChIKey |
XFIWDNLYLRKEOH-UHFFFAOYSA-N
|
| MW [Da] |
137.23
Automatically obtained from RDkit software. |
| LogP |
2.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM198028
Similarity: 0.7899
Similarity to MM198028
| Tanimoto metric | 0.7899 |
|---|---|
| Cosine metric | 0.8888 |
| Dice metric | 0.8826 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91575
Similarity: 0.6912
Similarity to MM91575
| Tanimoto metric | 0.6912 |
|---|---|
| Cosine metric | 0.8179 |
| Dice metric | 0.8174 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM353875
Similarity: 0.6794
Similarity to MM353875
| Tanimoto metric | 0.6794 |
|---|---|
| Cosine metric | 0.8118 |
| Dice metric | 0.8091 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+490 more
