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DocumentationIdentifier: MM440569
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM440569 |
| SMILES |
CC1CN1CC(C=O)C=O
|
| InChIKey |
DHFUWTIQRRQUFO-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM353405
Similarity: 0.9352
Similarity to MM353405
| Tanimoto metric | 0.9352 |
|---|---|
| Cosine metric | 0.967 |
| Dice metric | 0.9665 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM353861
Similarity: 0.7953
Similarity to MM353861
| Tanimoto metric | 0.7953 |
|---|---|
| Cosine metric | 0.8872 |
| Dice metric | 0.886 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM374439
Similarity: 0.7214
Similarity to MM374439
| Tanimoto metric | 0.7214 |
|---|---|
| Cosine metric | 0.8427 |
| Dice metric | 0.8382 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+180 more
