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DocumentationIdentifier: MM227856
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM227856 |
| SMILES |
CC(C)CCC(C)(O)C#N
|
| InChIKey |
PLCIHCBMYXZOLC-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138339
Similarity: 0.907
Similarity to MM138339
| Tanimoto metric | 0.907 |
|---|---|
| Cosine metric | 0.9524 |
| Dice metric | 0.9512 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60626
Similarity: 0.8696
Similarity to MM60626
| Tanimoto metric | 0.8696 |
|---|---|
| Cosine metric | 0.9302 |
| Dice metric | 0.9302 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239608
Similarity: 0.8125
Similarity to MM239608
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.8966 |
| Dice metric | 0.8966 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+490 more
