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DocumentationIdentifier: MM102932
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM102932 |
| SMILES |
CC(N)(CO)CCN
|
| InChIKey |
DTLCKVUFSAJSJM-UHFFFAOYSA-N
|
| MW [Da] |
118.18
Automatically obtained from RDkit software. |
| LogP |
-0.96
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139183
Similarity: 0.8158
Similarity to MM139183
| Tanimoto metric | 0.8158 |
|---|---|
| Cosine metric | 0.9032 |
| Dice metric | 0.8986 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM82994
Similarity: 0.7258
Similarity to MM82994
| Tanimoto metric | 0.7258 |
|---|---|
| Cosine metric | 0.8519 |
| Dice metric | 0.8411 |
| MW: | 103.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM227831
Similarity: 0.6458
Similarity to MM227831
| Tanimoto metric | 0.6458 |
|---|---|
| Cosine metric | 0.8036 |
| Dice metric | 0.7848 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+372 more
