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DocumentationIdentifier: MM311682
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM311682 |
| SMILES |
CC1CC1(C)CCNC=O
|
| InChIKey |
PDGQCDINYPCEGE-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM164666
Similarity: 0.8644
Similarity to MM164666
| Tanimoto metric | 0.8644 |
|---|---|
| Cosine metric | 0.9297 |
| Dice metric | 0.9273 |
| MW: | 127.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM257436
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Similarity to MM257436
| Tanimoto metric | 0.8047 |
|---|---|
| Cosine metric | 0.892 |
| Dice metric | 0.8918 |
| MW: | 141.26 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM301854
Similarity: 0.7969
Similarity to MM301854
| Tanimoto metric | 0.7969 |
|---|---|
| Cosine metric | 0.8873 |
| Dice metric | 0.887 |
| MW: | 141.26 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+249 more
