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DocumentationIdentifier: MM177786
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM177786 |
| SMILES |
CCNC(CO)CCN
|
| InChIKey |
MJXNGOORENGZCY-UHFFFAOYSA-N
|
| MW [Da] |
132.21
Automatically obtained from RDkit software. |
| LogP |
-0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM115912
Similarity: 0.7662
Similarity to MM115912
| Tanimoto metric | 0.7662 |
|---|---|
| Cosine metric | 0.8753 |
| Dice metric | 0.8676 |
| MW: | 118.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM115931
Similarity: 0.7532
Similarity to MM115931
| Tanimoto metric | 0.7532 |
|---|---|
| Cosine metric | 0.8679 |
| Dice metric | 0.8593 |
| MW: | 117.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM82389
Similarity: 0.7404
Similarity to MM82389
| Tanimoto metric | 0.7404 |
|---|---|
| Cosine metric | 0.8605 |
| Dice metric | 0.8508 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+498 more
