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ALA5287448 Name:
3-(((1H-indol-5-yl)oxy)methyl)-N-((6-(methylcarbam
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Mol. Formula:
C27H25N5O6S
M.W.:
547.59
Type:
---
AlogP:
2.49
Polar Surface Area:
155.15
HBA:
7
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA5281566 Name:
2-(4-chloro-3-methylphenoxy)-N-(4-(3,4-dimethylphe
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Mol. Formula:
C19H18ClN3O3
M.W.:
371.82
Type:
---
AlogP:
4.33
Polar Surface Area:
77.25
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA5278967 Name:
5-((4-aminonaphthalen-1-yl)diazenyl)-2-(4-((4-amin
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Mol. Formula:
C34H26N6O6S2
M.W.:
678.75
Type:
---
AlogP:
8.65
Polar Surface Area:
210.22
HBA:
10
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA5278030 Name:
2-(4-chloro-3-methylphenoxy)-N-(4-(4-isopropoxy-3-
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Mol. Formula:
C21H22ClN3O4
M.W.:
415.88
Type:
---
AlogP:
4.81
Polar Surface Area:
86.48
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA5290662 Name:
4-amino-3-(o-tolyldiazenyl)naphthalene-1-sulfonic
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Mol. Formula:
C17H15N3O3S
M.W.:
341.39
Type:
---
AlogP:
4.39
Polar Surface Area:
105.11
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA5289965 Name:
(6-cyano-2-oxo-1,2-dihydropyridin-4-yl)methyl 3-((
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Mol. Formula:
C26H20N4O6S
M.W.:
516.54
Type:
---
AlogP:
3.43
Polar Surface Area:
147.04
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA5289490 Name:
(6-(methylcarbamoyl)-2-oxo-1,2-dihydropyridin-4-yl
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Mol. Formula:
C27H24N4O7S
M.W.:
548.58
Type:
---
AlogP:
2.91
Polar Surface Area:
152.35
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA5287963 Name:
3-((4-aminonaphthalen-1-yl)diazenyl)benzenesulfoni
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Mol. Formula:
C16H14N3NaO3S
M.W.:
351.36
Type:
---
AlogP:
4.08
Polar Surface Area:
105.11
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4791433 Name:
N-(3-(Thiophene-2-carboxamido)benzyl)-3-benzyloxy-
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Mol. Formula:
C30H27N3O3S2
M.W.:
541.70
Type:
Unknown
AlogP:
6.79
Polar Surface Area:
70.67
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA4791142 Name:
N-(3-(Thiophene-2-carboxamido)benzyl)-3-benzyloxy-
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Mol. Formula:
C29H24N2O4S2
M.W.:
528.66
Type:
Unknown
AlogP:
6.73
Polar Surface Area:
76.66
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA4791044 Name:
N-(3-Benzamidobenzyl)-3-(3-nitrobenzyloxy)benzothi
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Mol. Formula:
C30H23N3O5S
M.W.:
537.60
Type:
Unknown
AlogP:
6.57
Polar Surface Area:
110.57
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA4790106 Name:
N-(3-(4-Bromobenzamido)benzyl)-3-benzyloxybenzothi
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Mol. Formula:
C30H23BrN2O3S
M.W.:
571.50
Type:
Unknown
AlogP:
7.43
Polar Surface Area:
67.43
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA4790058 Name:
N-(3-(Thiophene-2-carboxamido)benzyl)-3-benzyloxyt
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Mol. Formula:
C29H21N3O3S2
M.W.:
523.64
Type:
Unknown
AlogP:
6.60
Polar Surface Area:
91.22
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4789800 Name:
N-(3-(4-Nitrobenzamido)benzyl)-3-benzyloxybenzothi
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Mol. Formula:
C30H23N3O5S
M.W.:
537.60
Type:
Unknown
AlogP:
6.57
Polar Surface Area:
110.57
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA4789677 Name:
2-(4-chloro-3-methylphenoxy)-N-(4-(4-ethoxy-3-meth
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Mol. Formula:
C20H20ClN3O4
M.W.:
401.85
Type:
Unknown
AlogP:
4.42
Polar Surface Area:
86.48
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4789655 Name:
N-(3-(Thiophene-2-carboxamido)benzyl)-3-benzyloxy-
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Mol. Formula:
C28H21N3O5S2
M.W.:
543.63
Type:
Unknown
AlogP:
6.63
Polar Surface Area:
110.57
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA4782296 Name:
N-(3-(Thiophene-2-carboxamido)benzyl)-5-acetamido-
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Mol. Formula:
C30H25N3O4S2
M.W.:
555.68
Type:
Unknown
AlogP:
6.68
Polar Surface Area:
96.53
HBA:
6
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4782207 Name:
N-(3-(4-Fluorobenzamido)benzyl)-3-benzyloxybenzoth
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Mol. Formula:
C30H23FN2O3S
M.W.:
510.59
Type:
Unknown
AlogP:
6.80
Polar Surface Area:
67.43
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4781794 Name:
5-((2-aminonaphthalen-1-yl)diazenyl)-2-(4-(naphtha
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Mol. Formula:
C34H25N5O6S2
M.W.:
663.74
Type:
Unknown
AlogP:
9.07
Polar Surface Area:
184.20
HBA:
9
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA4776955 Name:
N-(3-(Furan-2-carboxamido)benzyl)-3-benzyloxybenzo
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Mol. Formula:
C28H22N2O4S
M.W.:
482.56
Type:
Unknown
AlogP:
6.26
Polar Surface Area:
80.57
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
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