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DocumentationIdentifier: MM135140
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM135140 |
| SMILES |
CC(C)NC(C)CC=O
|
| InChIKey |
WUUVFVZEBKCVMP-UHFFFAOYSA-N
|
| MW [Da] |
129.2
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
MM107227
Similarity: 0.8833
Similarity to MM107227
| Tanimoto metric | 0.8833 |
|---|---|
| Cosine metric | 0.9399 |
| Dice metric | 0.9381 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM62157
Similarity: 0.8636
Similarity to MM62157
| Tanimoto metric | 0.8636 |
|---|---|
| Cosine metric | 0.9271 |
| Dice metric | 0.9268 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM155899
Similarity: 0.8333
Similarity to MM155899
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9091 |
| Dice metric | 0.9091 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+271 more
