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DocumentationIdentifier: MM161994
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM161994 |
| SMILES |
CC(NCCN)C(F)F
|
| InChIKey |
CRJFMGUBTVWYPP-UHFFFAOYSA-N
|
| MW [Da] |
138.16
Automatically obtained from RDkit software. |
| LogP |
0.19
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM235039
Similarity: 0.7419
Similarity to MM235039
| Tanimoto metric | 0.7419 |
|---|---|
| Cosine metric | 0.8614 |
| Dice metric | 0.8519 |
| MW: | 152.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM161995
Similarity: 0.7143
Similarity to MM161995
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8342 |
| Dice metric | 0.8333 |
| MW: | 141.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM112606
Similarity: 0.7101
Similarity to MM112606
| Tanimoto metric | 0.7101 |
|---|---|
| Cosine metric | 0.8427 |
| Dice metric | 0.8305 |
| MW: | 120.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+318 more
