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DocumentationIdentifier: MM367820
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM367820 |
| SMILES |
CCC(C)C1CN1CC=O
|
| InChIKey |
SMWJENFMEFNBTH-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
0.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM367044
Similarity: 0.7593
Similarity to MM367044
| Tanimoto metric | 0.7593 |
|---|---|
| Cosine metric | 0.8714 |
| Dice metric | 0.8632 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM367020
Similarity: 0.7099
Similarity to MM367020
| Tanimoto metric | 0.7099 |
|---|---|
| Cosine metric | 0.8425 |
| Dice metric | 0.8303 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM434530
Similarity: 0.7053
Similarity to MM434530
| Tanimoto metric | 0.7053 |
|---|---|
| Cosine metric | 0.8272 |
| Dice metric | 0.8272 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+224 more
