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DocumentationIdentifier: MM419121
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM419121 |
| SMILES |
CC1CN1CCNCCO
|
| InChIKey |
WTGAESSJDBRJFS-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
-0.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM192989
Similarity: 0.8172
Similarity to MM192989
| Tanimoto metric | 0.8172 |
|---|---|
| Cosine metric | 0.9021 |
| Dice metric | 0.8994 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM124724
Similarity: 0.8132
Similarity to MM124724
| Tanimoto metric | 0.8132 |
|---|---|
| Cosine metric | 0.9018 |
| Dice metric | 0.897 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM299558
Similarity: 0.6981
Similarity to MM299558
| Tanimoto metric | 0.6981 |
|---|---|
| Cosine metric | 0.8223 |
| Dice metric | 0.8222 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+225 more
