Standard InChI: InChI=1S/C16H17N5O5S/c1-10-8-11-6-4-5-7-21(11)14(10)27(23,24)20-16(22)19-15-17-12(25-2)9-13(18-15)26-3/h4-9H,1-3H3,(H2,17,18,19,20,22)
Standard InChI Key: DQHUXJAIAIONRZ-UHFFFAOYSA-N
Associated Targets(non-human)
Sagittaria pygmaea 155 Activities
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Cyperus difformis 556 Activities
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Echinochloa oryzicola 1513 Activities
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Rotala indica 446 Activities
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Lindernia procumbens 387 Activities
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Schoenoplectiella juncoides 1014 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: 391.41
Molecular Weight (Monoisotopic): 391.0950
AlogP: 1.57
#Rotatable Bonds: 5
Polar Surface Area: 123.92
Molecular Species: ACID
HBA: 8
HBD: 2
#RO5 Violations: 0
HBA (Lipinski): 10
HBD (Lipinski): 2
#RO5 Violations (Lipinski): 0
CX Acidic pKa: 5.13
CX Basic pKa: 2.68
CX LogP: 2.34
CX LogD: 1.42
Aromatic Rings: 3
Heavy Atoms: 27
QED Weighted: 0.68
Np Likeness Score: -1.37
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]
