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DocumentationIdentifier: MM390899
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM390899 |
| SMILES |
CC(=O)C1CN1C
|
| InChIKey |
IGIRLPRIMRPZEA-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
MM454750
Similarity: 0.7419
Similarity to MM454750
| Tanimoto metric | 0.7419 |
|---|---|
| Cosine metric | 0.8614 |
| Dice metric | 0.8519 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM403078
Similarity: 0.7302
Similarity to MM403078
| Tanimoto metric | 0.7302 |
|---|---|
| Cosine metric | 0.8545 |
| Dice metric | 0.844 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM124583
Similarity: 0.6715
Similarity to MM124583
| Tanimoto metric | 0.6715 |
|---|---|
| Cosine metric | 0.8195 |
| Dice metric | 0.8035 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+115 more
