Standard InChI: InChI=1S/C26H22O8/c1-15(27)19-13-20(16(2)28)24(34-26(30)18-10-6-8-12-22(18)32-4)14-23(19)33-25(29)17-9-5-7-11-21(17)31-3/h5-14H,1-4H3
Standard InChI Key: BTJOKGDOCCEGER-UHFFFAOYSA-N
Associated Targets(non-human)
Rhizopus arrhizus 810 Activities
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Aspergillus niger 16508 Activities
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Candida albicans 78123 Activities
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Pseudomonas aeruginosa 123386 Activities
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Escherichia coli 133304 Activities
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Staphylococcus aureus 210822 Activities
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Molecule Features
Natural Product: No
Oral: No
Chemical Probe: No
Parenteral: No
Molecule Type: Small molecule
Topical: No
First In Class: No
Black Box: No
Chirality: No
Availability: No
Prodrug: No
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Properties
Molecular Weight: 462.45
Molecular Weight (Monoisotopic): 462.1315
AlogP: 4.55
#Rotatable Bonds: 8
Polar Surface Area: 105.20
Molecular Species: NEUTRAL
HBA: 8
HBD: 0
#RO5 Violations: 0
HBA (Lipinski): 8
HBD (Lipinski): 0
#RO5 Violations (Lipinski): 0
CX Acidic pKa:
CX Basic pKa:
CX LogP: 4.10
CX LogD: 4.10
Aromatic Rings: 3
Heavy Atoms: 34
QED Weighted: 0.27
Np Likeness Score: -0.21
References
1.Husain A, Ahmad A, Mkhalid IAI, Mishra R, Rashid M. (2013) Synthesis and antimicrobial activity of bischalcone derivatives, 22 (4):[10.1007/s00044-012-0137-4]
