Identifier: MM50890
2D Structure
3D Structure
Source:
General | |
Identifier | MM50890 |
SMILES |
C#CC(C)(C)NCC(C)O
|
InChIKey |
FFIPMLWFTZKEHB-UHFFFAOYSA-N
|
MW [Da] |
141.21
Automatically obtained from RDkit software. |
LogP |
0.37
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
MM144210
Similarity: 0.8105
Similarity to MM144210
Tanimoto metric | 0.8105 |
---|---|
Cosine metric | 0.9003 |
Dice metric | 0.8953 |
MW: | 127.19 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | -0.02 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM315914
Similarity: 0.7
Similarity to MM315914
Tanimoto metric | 0.7 |
---|---|
Cosine metric | 0.8236 |
Dice metric | 0.8235 |
MW: | 142.2 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | -1.08 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM51605
Similarity: 0.6991
Similarity to MM51605
Tanimoto metric | 0.6991 |
---|---|
Cosine metric | 0.823 |
Dice metric | 0.8229 |
MW: | 141.21 |
||||
---|---|---|---|---|---|
PI: | 1
Total passive interactions
|
LogP: | 0.37 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+489 more