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Identifier: MM355630

2D Structure
3D Structure
Source:
General
Identifier MM355630
SMILES C#CC=CC(O)C(F)C=C
InChIKey BPXSPUDPDYIOEO-UHFFFAOYSA-N
MW [Da] 140.16

Automatically obtained from RDkit software.
LogP 1.06

Automatically obtained from RDkit software.
Links

PubChem

 N/A

DrugBank

 N/A

ChEBI

 N/A

PDB

 N/A

ChEMBL

 N/A
Similar entries
MM174046
Similarity: 0.8
Similarity to MM174046
Tanimoto metric 0.8
Cosine metric 0.8944
Dice metric 0.8889
MW:
130.16
PI:
2
Total passive interactions
MM355630
 2
MM174046
 2
LogP:
1.45
AI:
0
Total active interactions
MM355630
 0
MM174046
 0
MM163190
Similarity: 0.792
Similarity to MM163190
Tanimoto metric 0.792
Cosine metric 0.8899
Dice metric 0.8839
MW:
128.15
PI:
2
Total passive interactions
MM355630
 2
MM163190
 2
LogP:
0.89
AI:
0
Total active interactions
MM355630
 0
MM163190
 0
MM174052
Similarity: 0.6544
Similarity to MM174052
Tanimoto metric 0.6544
Cosine metric 0.796
Dice metric 0.7911
MW:
130.16
PI:
2
Total passive interactions
MM355630
 2
MM174052
 2
LogP:
1.45
AI:
0
Total active interactions
MM355630
 0
MM174052
 0
+50 more

No data

Methods

Computed
QSAR
Simulated
Coarse grain MD

No data

No transporter data found.