Identifier: MM172758
2D Structure
3D Structure
Source:
General | |
Identifier | MM172758 |
SMILES |
C=C(C#N)C(C)CC#N
|
InChIKey |
USQSYPCQFLJJNM-UHFFFAOYSA-N
|
MW [Da] |
120.16
Automatically obtained from RDkit software. |
LogP |
1.62
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
MM111830
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Similarity to MM111830
Tanimoto metric | 0.8158 |
---|---|
Cosine metric | 0.9032 |
Dice metric | 0.8986 |
MW: | 109.17 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 2.11 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM233453
Similarity: 0.7917
Similarity to MM233453
Tanimoto metric | 0.7917 |
---|---|
Cosine metric | 0.8898 |
Dice metric | 0.8837 |
MW: | 134.18 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 2.01 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM378650
Similarity: 0.7755
Similarity to MM378650
Tanimoto metric | 0.7755 |
---|---|
Cosine metric | 0.8806 |
Dice metric | 0.8736 |
MW: | 132.17 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 1.78 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+383 more