Standard InChI: InChI=1S/C24H16Cl2O6/c1-13(27)19-11-20(14(2)28)22(32-24(30)16-6-4-8-18(26)10-16)12-21(19)31-23(29)15-5-3-7-17(25)9-15/h3-12H,1-2H3
Standard InChI Key: NWOCCRQGDXPBTD-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: 471.29
Molecular Weight (Monoisotopic): 470.0324
AlogP: 5.84
#Rotatable Bonds: 6
Polar Surface Area: 86.74
Molecular Species: NEUTRAL
HBA: 6
HBD: 0
#RO5 Violations: 1
HBA (Lipinski): 6
HBD (Lipinski): 0
#RO5 Violations (Lipinski): 1
CX Acidic pKa:
CX Basic pKa:
CX LogP: 5.62
CX LogD: 5.62
Aromatic Rings: 3
Heavy Atoms: 32
QED Weighted: 0.26
Np Likeness Score: -0.40
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]
