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DocumentationIdentifier: MM33080
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM33080 |
| SMILES |
CNC(C#N)C(C)(F)C#N
|
| InChIKey |
AWJWVFBNSRZCEY-UHFFFAOYSA-N
|
| MW [Da] |
141.15
Automatically obtained from RDkit software. |
| LogP |
0.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM131381
Similarity: 0.6994
Similarity to MM131381
| Tanimoto metric | 0.6994 |
|---|---|
| Cosine metric | 0.8363 |
| Dice metric | 0.8231 |
| MW: | 130.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28827
Similarity: 0.6564
Similarity to MM28827
| Tanimoto metric | 0.6564 |
|---|---|
| Cosine metric | 0.8102 |
| Dice metric | 0.7926 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM232020
Similarity: 0.599
Similarity to MM232020
| Tanimoto metric | 0.599 |
|---|---|
| Cosine metric | 0.7506 |
| Dice metric | 0.7492 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+55 more
