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DocumentationIdentifier: MM280168
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM280168 |
| SMILES |
C=CC=CCC(=O)CNC
|
| InChIKey |
DXUNOGZOSWBDMU-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.91
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156829
Similarity: 0.8539
Similarity to MM156829
| Tanimoto metric | 0.8539 |
|---|---|
| Cosine metric | 0.9241 |
| Dice metric | 0.9212 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM280169
Similarity: 0.7677
Similarity to MM280169
| Tanimoto metric | 0.7677 |
|---|---|
| Cosine metric | 0.8687 |
| Dice metric | 0.8686 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM38817
Similarity: 0.7379
Similarity to MM38817
| Tanimoto metric | 0.7379 |
|---|---|
| Cosine metric | 0.8492 |
| Dice metric | 0.8492 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+91 more
