Identifier: MM115960
2D Structure
3D Structure
Source:
General | |
Identifier | MM115960 |
SMILES |
COC(CO)CC=O
|
InChIKey |
ITEPTWRGWUKXIW-UHFFFAOYSA-N
|
MW [Da] |
118.13
Automatically obtained from RDkit software. |
LogP |
-0.42
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
3,4-dimethoxybutanal
Similarity: 0.7949
Similarity to 3,4-dimethoxybutanal
Tanimoto metric | 0.7949 |
---|---|
Cosine metric | 0.8916 |
Dice metric | 0.8857 |
MW: | 132.16 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 0.24 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM51224
Similarity: 0.7848
Similarity to MM51224
Tanimoto metric | 0.7848 |
---|---|
Cosine metric | 0.8859 |
Dice metric | 0.8794 |
MW: | 132.16 |
||||
---|---|---|---|---|---|
PI: | 1
Total passive interactions
|
LogP: | -0.03 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM26182
Similarity: 0.6774
Similarity to MM26182
Tanimoto metric | 0.6774 |
---|---|
Cosine metric | 0.8231 |
Dice metric | 0.8077 |
MW: | 102.13 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 0.61 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+626 more