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DocumentationIdentifier: MM63036
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM63036 |
| SMILES |
CC=CC(=O)N(C)CCN
|
| InChIKey |
PUERAAUZXHSVPU-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
-0.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM172735
Similarity: 0.8108
Similarity to MM172735
| Tanimoto metric | 0.8108 |
|---|---|
| Cosine metric | 0.9005 |
| Dice metric | 0.8955 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7658 |
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| Cosine metric | 0.8751 |
| Dice metric | 0.8673 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM412578
Similarity: 0.7143
Similarity to MM412578
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8366 |
| Dice metric | 0.8333 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+328 more
