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DocumentationIdentifier: MM373300
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM373300 |
| SMILES |
C=CCC(C=O)CN1CC1
|
| InChIKey |
VXWAYCOMQAPWAB-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM373845
Similarity: 0.8
Similarity to MM373845
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM346302
Similarity: 0.6733
Similarity to MM346302
| Tanimoto metric | 0.6733 |
|---|---|
| Cosine metric | 0.8048 |
| Dice metric | 0.8048 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM374439
Similarity: 0.6433
Similarity to MM374439
| Tanimoto metric | 0.6433 |
|---|---|
| Cosine metric | 0.7833 |
| Dice metric | 0.7829 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+61 more
