Standard InChI: InChI=1S/C12H13N7O5S2/c1-6-9(19-12(14-6)25-5-13-19)26(21,22)18-11(20)17-10-15-7(23-2)4-8(16-10)24-3/h4-5H,1-3H3,(H2,15,16,17,18,20)
Standard InChI Key: DRRSGMCGBCLJNO-UHFFFAOYSA-N
Associated Targets(non-human)
Rotala indica 446 Activities
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Lindernia procumbens 387 Activities
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Sagittaria pygmaea 155 Activities
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Schoenoplectiella juncoides 1014 Activities
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Cyperus difformis 556 Activities
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Echinochloa oryzicola 1513 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: 399.41
Molecular Weight (Monoisotopic): 399.0420
AlogP: 0.42
#Rotatable Bonds: 5
Polar Surface Area: 149.70
Molecular Species: ACID
HBA: 11
HBD: 2
#RO5 Violations: 1
HBA (Lipinski): 12
HBD (Lipinski): 2
#RO5 Violations (Lipinski): 1
CX Acidic pKa: 5.03
CX Basic pKa: 2.68
CX LogP: 1.13
CX LogD: 0.21
Aromatic Rings: 3
Heavy Atoms: 26
QED Weighted: 0.62
Np Likeness Score: -1.56
References
1.OHTA K, ITOH S, KANDOU Y, YOSHIKAWA H, ISHIDA Y. (1994) Synthesis and Herbicidal Activity of Sulfonylureas with Fused Heterocyclic Moiety, 19 (2):[10.1584/jpestics.19.2_137]
