Standard InChI: InChI=1S/C20H24N2O4/c1-14(2)26-17-10-7-9-16(12-17)25-13-15-8-5-6-11-18(15)19(22-24-4)20(23)21-3/h5-12,14H,13H2,1-4H3,(H,21,23)/b22-19+
Standard InChI Key: BHAZIWLMGWVPDC-ZBJSNUHESA-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: 356.42
Molecular Weight (Monoisotopic): 356.1736
AlogP: 3.15
#Rotatable Bonds: 8
Polar Surface Area: 69.15
Molecular Species: NEUTRAL
HBA: 5
HBD: 1
#RO5 Violations: 0
HBA (Lipinski): 6
HBD (Lipinski): 1
#RO5 Violations (Lipinski): 0
CX Acidic pKa:
CX Basic pKa: 0.67
CX LogP: 3.48
CX LogD: 3.48
Aromatic Rings: 2
Heavy Atoms: 26
QED Weighted: 0.58
Np Likeness Score: -0.84
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]
