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DocumentationIdentifier: MM69357
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM69357 |
| SMILES |
CC(CC#N)OCCCO
|
| InChIKey |
VXUZEACPUJTMTF-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM155903
Similarity: 0.8611
Similarity to MM155903
| Tanimoto metric | 0.8611 |
|---|---|
| Cosine metric | 0.928 |
| Dice metric | 0.9254 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261439
Similarity: 0.7949
Similarity to MM261439
| Tanimoto metric | 0.7949 |
|---|---|
| Cosine metric | 0.8861 |
| Dice metric | 0.8857 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM69328
Similarity: 0.7561
Similarity to MM69328
| Tanimoto metric | 0.7561 |
|---|---|
| Cosine metric | 0.8611 |
| Dice metric | 0.8611 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+607 more
