Standard InChI: InChI=1S/C23H22N2O3/c1-24-23(26)22(25-27-2)21-11-7-6-10-19(21)16-28-20-14-12-18(13-15-20)17-8-4-3-5-9-17/h3-15H,16H2,1-2H3,(H,24,26)/b25-22+
Standard InChI Key: HVBXQQUPTDCUPZ-YYDJUVGSSA-N
Associated Targets(non-human)
Pseudoperonospora cubensis 1623 Activities
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Botrytis cinerea 4183 Activities
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Podosphaera fuliginea 1057 Activities
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Blumeria graminis f. sp. tritici 444 Activities
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Thanatephorus cucumeris 609 Activities
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Pyricularia oryzae 1832 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: 374.44
Molecular Weight (Monoisotopic): 374.1630
AlogP: 4.03
#Rotatable Bonds: 7
Polar Surface Area: 59.92
Molecular Species: NEUTRAL
HBA: 4
HBD: 1
#RO5 Violations: 0
HBA (Lipinski): 5
HBD (Lipinski): 1
#RO5 Violations (Lipinski): 0
CX Acidic pKa:
CX Basic pKa: 1.03
CX LogP: 4.51
CX LogD: 4.51
Aromatic Rings: 3
Heavy Atoms: 28
QED Weighted: 0.50
Np Likeness Score: -0.54
References
1.TAKENAKA H, ICHINARI M, TANIMOTO N, HAYASE Y, NIIKAWA M, ICHIBA T, MASUKO M, HAYASHI Y, TAKEDA R. (1998) Fungicidal Activities of 2-(Substituted Phenoxymethyl)phenyl-2-methoxyiminoacaetamide Derivatives, 23 (2):[10.1584/jpestics.23.107]
