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DocumentationIdentifier: MM390794
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM390794 |
| SMILES |
CC1C(C=O)N1C
|
| InChIKey |
GZCWPYVOCAIMQD-UHFFFAOYSA-N
|
| MW [Da] |
99.13
Automatically obtained from RDkit software. |
| LogP |
-0.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM304591
Similarity: 0.8866
Similarity to MM304591
| Tanimoto metric | 0.8866 |
|---|---|
| Cosine metric | 0.9416 |
| Dice metric | 0.9399 |
| MW: | 113.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386714
Similarity: 0.7818
Similarity to MM386714
| Tanimoto metric | 0.7818 |
|---|---|
| Cosine metric | 0.8842 |
| Dice metric | 0.8776 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM381511
Similarity: 0.6825
Similarity to MM381511
| Tanimoto metric | 0.6825 |
|---|---|
| Cosine metric | 0.8262 |
| Dice metric | 0.8113 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+181 more
