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DocumentationIdentifier: MM126991
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM126991 |
| SMILES |
NCCCCC1CN1
|
| InChIKey |
XPYWBXMMHJIXBG-UHFFFAOYSA-N
|
| MW [Da] |
114.19
Automatically obtained from RDkit software. |
| LogP |
0.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM218074
Similarity: 0.9661
Similarity to MM218074
| Tanimoto metric | 0.9661 |
|---|---|
| Cosine metric | 0.9829 |
| Dice metric | 0.9828 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM193792
Similarity: 0.8769
Similarity to MM193792
| Tanimoto metric | 0.8769 |
|---|---|
| Cosine metric | 0.9364 |
| Dice metric | 0.9344 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM218073
Similarity: 0.7846
Similarity to MM218073
| Tanimoto metric | 0.7846 |
|---|---|
| Cosine metric | 0.8794 |
| Dice metric | 0.8793 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+186 more
