Identifier: MM141612
2D Structure
3D Structure
Source:
General | |
Identifier | MM141612 |
SMILES |
CCC(C)CC(C)C#N
|
InChIKey |
IPTOZYGQFKIXMN-UHFFFAOYSA-N
|
MW [Da] |
125.22
Automatically obtained from RDkit software. |
LogP |
2.58
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
MM326084
Similarity: 0.9259
Similarity to MM326084
Tanimoto metric | 0.9259 |
---|---|
Cosine metric | 0.9623 |
Dice metric | 0.9615 |
MW: | 139.24 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 2.97 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM327684
Similarity: 0.8621
Similarity to MM327684
Tanimoto metric | 0.8621 |
---|---|
Cosine metric | 0.9285 |
Dice metric | 0.9259 |
MW: | 136.2 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 2.09 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
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MM326518
Similarity: 0.8621
Similarity to MM326518
Tanimoto metric | 0.8621 |
---|---|
Cosine metric | 0.9285 |
Dice metric | 0.9259 |
MW: | 139.24 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 2.97 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+450 more