ALA4594055Name:
4-(4-Chlorophenyl)-1-(2-hydroxybenzoyl)-3-thiosemicarbazideMol. Formula:
C14H12ClN3O2SM.W.:
321.79Type:
UnknownAlogP:
2.68Polar Surface Area:
73.39HBA:
3HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.51DETAILS
ALA4591078Name:
1-(2-Hydroxybenzoyl)-4-(3-iodophenyl)-3-thiosemicarbazideMol. Formula:
C14H12IN3O2SM.W.:
413.24Type:
UnknownAlogP:
2.63Polar Surface Area:
73.39HBA:
3HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.35DETAILS
ALA4581230Name:
1-(2-Hydroxybenzoyl)-4-(pyridin-3-yl)-3-thiosemicarbazideMol. Formula:
C13H12N4O2SM.W.:
288.33Type:
UnknownAlogP:
1.42Polar Surface Area:
86.28HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.49DETAILS
ALA4578193Name:
1-Benzoyl-4-(3,4-dichlorophenyl)-3-thiosemicarbazideMol. Formula:
C14H11Cl2N3OSM.W.:
340.24Type:
UnknownAlogP:
3.62Polar Surface Area:
53.16HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.58DETAILS
ALA4577259Name:
4-(3,4-Dichlorophenyl)-1-(2-methoxybenzoyl)-3-thiosemicarbazideMol. Formula:
C15H13Cl2N3O2SM.W.:
370.26Type:
UnknownAlogP:
3.63Polar Surface Area:
62.39HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.57DETAILS- ALA4566999
Name:
4-(2,4-Dichlorophenyl)-1-(2-hydroxybenzoyl)-3-thiosemicarbazideMol. Formula:
C14H11Cl2N3O2SM.W.:
356.23Type:
UnknownAlogP:
3.33Polar Surface Area:
73.39HBA:
3HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.49DETAILS - ALA4547125
Name:
1-(2-Hydroxybenzoyl)-4-(2-methoxyphenyl)-3-thiosemicarbazideMol. Formula:
C15H15N3O3SM.W.:
317.37Type:
UnknownAlogP:
2.03Polar Surface Area:
82.62HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA4537709
Name:
4-(3,4-Dichlorophenyl)-1-(4-fluorobenzoyl)-3-thiosemicarbazideMol. Formula:
C14H10Cl2FN3OSM.W.:
358.23Type:
UnknownAlogP:
3.76Polar Surface Area:
53.16HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.57DETAILS - ALA4537639
Name:
ethyl 2-(3-(aminomethyl)phenyl)-4-bromobenzo[d]oxazole-6-carboxylateMol. Formula:
C17H15BrN2O3M.W.:
375.22Type:
UnknownAlogP:
3.89Polar Surface Area:
78.35HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.70DETAILS - ALA4537115
Name:
1-(2-Hydroxybenzoyl)-4-(3-morpholinopropyl)-3-thiosemicarbazideMol. Formula:
C15H22N4O3SM.W.:
338.43Type:
UnknownAlogP:
0.22Polar Surface Area:
85.86HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.35DETAILS - ALA4535288
Name:
1-(2-Hydroxybenzoyl)-4-(4-acetylphenyl)-3-thiosemicarbazideMol. Formula:
C16H15N3O3SM.W.:
329.38Type:
UnknownAlogP:
2.23Polar Surface Area:
90.46HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.39DETAILS - ALA4531935
Name:
4-(4-Fluorophenyl)-1-(2-hydroxybenzoyl)-3-thiosemicarbazideMol. Formula:
C14H12FN3O2SM.W.:
305.33Type:
UnknownAlogP:
2.16Polar Surface Area:
73.39HBA:
3HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA4524762
Name:
1-(2-Hydroxybenzoyl)-4-(4-methoxyphenyl)-3-thiosemicarbazideMol. Formula:
C15H15N3O3SM.W.:
317.37Type:
UnknownAlogP:
2.03Polar Surface Area:
82.62HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA4521270
Name:
1-(4-Hydroxybenzoyl)-4-(4-nitrophenyl)-3-thiosemicarbazideMol. Formula:
C14H12N4O4SM.W.:
332.34Type:
UnknownAlogP:
1.93Polar Surface Area:
116.53HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.39DETAILS - ALA4515860
Name:
1-Benzoyl-4-(3-fluorophenyl)-3-thiosemicarbazideMol. Formula:
C14H12FN3OSM.W.:
289.33Type:
UnknownAlogP:
2.46Polar Surface Area:
53.16HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.59DETAILS - ALA4515707
Name:
4-(3-Fluorophenyl)-1-(2-hydroxybenzoyl)-3-thiosemicarbazideMol. Formula:
C14H12FN3O2SM.W.:
305.33Type:
UnknownAlogP:
2.16Polar Surface Area:
73.39HBA:
3HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA4514663
Name:
1-(2-Hydroxybenzoyl)-4-pentyl-3-thiosemicarbazideMol. Formula:
C13H19N3O2SM.W.:
281.38Type:
UnknownAlogP:
1.69Polar Surface Area:
73.39HBA:
3HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.38DETAILS - ALA4476621
Name:
4-(3,4-Dichlorophenyl)-1-(2-hydroxybenzoyl)-3-thiosemicarbazideMol. Formula:
C14H11Cl2N3O2SM.W.:
356.23Type:
UnknownAlogP:
3.33Polar Surface Area:
73.39HBA:
3HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.49DETAILS - ALA4476543
Name:
1-Benzoyl-4-(4-fluorophenyl)-3-thiosemicarbazideMol. Formula:
C14H12FN3OSM.W.:
289.33Type:
UnknownAlogP:
2.46Polar Surface Area:
53.16HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.59DETAILS - ALA4472847
Name:
4-(2-Chlorophenyl)-1-(2-hydroxybenzoyl)-3-thiosemicarbazideMol. Formula:
C14H12ClN3O2SM.W.:
321.79Type:
UnknownAlogP:
2.68Polar Surface Area:
73.39HBA:
3HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.51DETAILS
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