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DocumentationIdentifier: MM258781
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM258781 |
| SMILES |
CC(=CF)CNCC(=N)N
|
| InChIKey |
DQVMHPDIEYTNGG-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
0.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM133084
Similarity: 0.7647
Similarity to MM133084
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8745 |
| Dice metric | 0.8667 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM69183
Similarity: 0.6961
Similarity to MM69183
| Tanimoto metric | 0.6961 |
|---|---|
| Cosine metric | 0.8343 |
| Dice metric | 0.8208 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM71181
Similarity: 0.6455
Similarity to MM71181
| Tanimoto metric | 0.6455 |
|---|---|
| Cosine metric | 0.7909 |
| Dice metric | 0.7845 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+185 more
