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DocumentationIdentifier: MM259812
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM259812 |
| SMILES |
CC(CO)N(C)CC#N
|
| InChIKey |
UVDZSCRAAPOSIZ-UHFFFAOYSA-N
|
| MW [Da] |
128.18
Automatically obtained from RDkit software. |
| LogP |
-0.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM52021
Similarity: 0.8953
Similarity to MM52021
| Tanimoto metric | 0.8953 |
|---|---|
| Cosine metric | 0.9462 |
| Dice metric | 0.9448 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM260251
Similarity: 0.7778
Similarity to MM260251
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44339
Similarity: 0.7624
Similarity to MM44339
| Tanimoto metric | 0.7624 |
|---|---|
| Cosine metric | 0.8731 |
| Dice metric | 0.8652 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+310 more
