Identifier: MM175724
2D Structure
3D Structure
Source:
General | |
Identifier | MM175724 |
SMILES |
CC=C(C)C(C)=CC#N
|
InChIKey |
PZTDPQQRZXTXSK-UHFFFAOYSA-N
|
MW [Da] |
121.18
Automatically obtained from RDkit software. |
LogP |
2.42
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
MM297005
Similarity: 0.9722
Similarity to MM297005
Tanimoto metric | 0.9722 |
---|---|
Cosine metric | 0.986 |
Dice metric | 0.9859 |
MW: | 132.17 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 1.93 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM108904
Similarity: 0.8571
Similarity to MM108904
Tanimoto metric | 0.8571 |
---|---|
Cosine metric | 0.9258 |
Dice metric | 0.9231 |
MW: | 107.16 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 2.03 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM296971
Similarity: 0.7865
Similarity to MM296971
Tanimoto metric | 0.7865 |
---|---|
Cosine metric | 0.8869 |
Dice metric | 0.8805 |
MW: | 135.21 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 2.81 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+454 more