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Identifier: MM291424

2D Structure
3D Structure
Source:
General
Identifier MM291424
SMILES CCCOCC(O)CC#N
InChIKey ORWCHMQGISFARO-UHFFFAOYSA-N
MW [Da] 143.19

Automatically obtained from RDkit software.
LogP 0.69

Automatically obtained from RDkit software.
Links

PubChem

 N/A

DrugBank

 N/A

ChEBI

 N/A

PDB

 N/A

ChEMBL

 N/A
Similar entries
MM45744
Similarity: 0.9342
Similarity to MM45744
Tanimoto metric 0.9342
Cosine metric 0.9665
Dice metric 0.966
MW:
129.16
PI:
2
Total passive interactions
MM291424
 2
MM45744
 2
LogP:
0.3
AI:
0
Total active interactions
MM291424
 0
MM45744
 0
MM291425
Similarity: 0.8902
Similarity to MM291425
Tanimoto metric 0.8902
Cosine metric 0.9421
Dice metric 0.9419
MW:
145.16
PI:
2
Total passive interactions
MM291424
 2
MM291425
 2
LogP:
-0.73
AI:
0
Total active interactions
MM291424
 0
MM291425
 0
MM250566
Similarity: 0.8068
Similarity to MM250566
Tanimoto metric 0.8068
Cosine metric 0.8939
Dice metric 0.8931
MW:
143.19
PI:
3
Total passive interactions
MM291424
 2
MM250566
 3
LogP:
0.69
AI:
0
Total active interactions
MM291424
 0
MM250566
 0
+602 more

No data

Methods

Computed
QSAR
Simulated
Coarse grain MD

No data

No transporter data found.