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DocumentationIdentifier: MM304069
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM304069 |
| SMILES |
N=CNC(=CCF)CCO
|
| InChIKey |
NEHCUXMOCKHZIW-UHFFFAOYSA-N
|
| MW [Da] |
146.17
Automatically obtained from RDkit software. |
| LogP |
0.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178953
Similarity: 0.7823
Similarity to MM178953
| Tanimoto metric | 0.7823 |
|---|---|
| Cosine metric | 0.8845 |
| Dice metric | 0.8778 |
| MW: | 130.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM82877
Similarity: 0.6467
Similarity to MM82877
| Tanimoto metric | 0.6467 |
|---|---|
| Cosine metric | 0.7854 |
| Dice metric | 0.7854 |
| MW: | 139.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304067
Similarity: 0.6376
Similarity to MM304067
| Tanimoto metric | 0.6376 |
|---|---|
| Cosine metric | 0.7788 |
| Dice metric | 0.7787 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+349 more
