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DocumentationIdentifier: MM353405
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM353405 |
| SMILES |
CC(C=O)CN1CC1C
|
| InChIKey |
XPOYLEDWXOUKBL-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
0.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM440569
Similarity: 0.9352
Similarity to MM440569
| Tanimoto metric | 0.9352 |
|---|---|
| Cosine metric | 0.967 |
| Dice metric | 0.9665 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM353861
Similarity: 0.8417
Similarity to MM353861
| Tanimoto metric | 0.8417 |
|---|---|
| Cosine metric | 0.9174 |
| Dice metric | 0.914 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM374439
Similarity: 0.7594
Similarity to MM374439
| Tanimoto metric | 0.7594 |
|---|---|
| Cosine metric | 0.8714 |
| Dice metric | 0.8632 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+259 more
