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DocumentationIdentifier: MM364917
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM364917 |
| SMILES |
CCC1(C)CN1CC=O
|
| InChIKey |
OOAJHQOHSXTQFK-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
0.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM421892
Similarity: 0.8363
Similarity to MM421892
| Tanimoto metric | 0.8363 |
|---|---|
| Cosine metric | 0.9145 |
| Dice metric | 0.9108 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357032
Similarity: 0.6842
Similarity to MM357032
| Tanimoto metric | 0.6842 |
|---|---|
| Cosine metric | 0.8272 |
| Dice metric | 0.8125 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360707
Similarity: 0.6748
Similarity to MM360707
| Tanimoto metric | 0.6748 |
|---|---|
| Cosine metric | 0.8068 |
| Dice metric | 0.8059 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+129 more
