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DocumentationIdentifier: MM250523
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM250523 |
| SMILES |
CN(C)CCC(O)CCN
|
| InChIKey |
OFSZSXQPKOQPQU-UHFFFAOYSA-N
|
| MW [Da] |
146.23
Automatically obtained from RDkit software. |
| LogP |
-0.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144094
Similarity: 0.9155
Similarity to MM144094
| Tanimoto metric | 0.9155 |
|---|---|
| Cosine metric | 0.9568 |
| Dice metric | 0.9559 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM250522
Similarity: 0.7647
Similarity to MM250522
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8679 |
| Dice metric | 0.8667 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM53743
Similarity: 0.7471
Similarity to MM53743
| Tanimoto metric | 0.7471 |
|---|---|
| Cosine metric | 0.8571 |
| Dice metric | 0.8553 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+434 more
