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Ethane-1,1,2-tricarbaldehyde

2D Structure
3D Structure
Source:
General
Identifier MM02856
SMILES O=CCC(C=O)C=O
InChIKey QGPGKCTWMYIIPB-UHFFFAOYSA-N
MW [Da] 114.1

Automatically obtained from RDkit software.
LogP -0.41

Automatically obtained from RDkit software.
Links

PubChem

 22352755

DrugBank

 N/A

ChEBI

 N/A

PDB

 N/A

ChEMBL

 N/A
Similar entries
MM197107
Similarity: 0.8571
Similarity to MM197107
Tanimoto metric 0.8571
Cosine metric 0.9258
Dice metric 0.9231
MW:
128.13
PI:
3
Total passive interactions
Ethane-1,1,2-tricarbaldehyde
 2
MM197107
 3
LogP:
-0.16
AI:
0
Total active interactions
Ethane-1,1,2-tricarbaldehyde
 0
MM197107
 0
MM400863
Similarity: 0.8571
Similarity to MM400863
Tanimoto metric 0.8571
Cosine metric 0.9258
Dice metric 0.9231
MW:
142.11
PI:
2
Total passive interactions
Ethane-1,1,2-tricarbaldehyde
 2
MM400863
 2
LogP:
-0.99
AI:
0
Total active interactions
Ethane-1,1,2-tricarbaldehyde
 0
MM400863
 0
2-ethylpropanedial
Similarity: 0.7778
Similarity to 2-ethylpropanedial
Tanimoto metric 0.7778
Cosine metric 0.8819
Dice metric 0.875
MW:
100.12
PI:
3
Total passive interactions
Ethane-1,1,2-tricarbaldehyde
 2
2-ethylpropanedial
 3
LogP:
0.41
AI:
0
Total active interactions
Ethane-1,1,2-tricarbaldehyde
 0
2-ethylpropanedial
 0
+56 more

No data

Methods

Computed
QSAR
Simulated
Coarse grain MD

No data

No transporter data found.