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DocumentationIdentifier: MM217068
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM217068 |
| SMILES |
CCC=CC1CN1CC
|
| InChIKey |
KIYQFTWZKGIUCD-UHFFFAOYSA-N
|
| MW [Da] |
125.22
Automatically obtained from RDkit software. |
| LogP |
1.66
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM447995
Similarity: 0.9187
Similarity to MM447995
| Tanimoto metric | 0.9187 |
|---|---|
| Cosine metric | 0.9585 |
| Dice metric | 0.9576 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM127972
Similarity: 0.885
Similarity to MM127972
| Tanimoto metric | 0.885 |
|---|---|
| Cosine metric | 0.9407 |
| Dice metric | 0.939 |
| MW: | 111.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM194900
Similarity: 0.7813
Similarity to MM194900
| Tanimoto metric | 0.7813 |
|---|---|
| Cosine metric | 0.8772 |
| Dice metric | 0.8772 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+375 more
