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ALA5290395 Name:
5-chloro-N-(2,4-dimethoxybenzyl)-3-methoxybenzo[b]
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Mol. Formula:
C19H18ClNO4S
M.W.:
391.88
Type:
---
AlogP:
4.51
Polar Surface Area:
56.79
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA5288309 Name:
N-(2-bromobenzyl)-3-methoxybenzo[b]thiophene-2-car
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Mol. Formula:
C17H14BrNO2S
M.W.:
376.27
Type:
---
AlogP:
4.60
Polar Surface Area:
38.33
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA4859637 Name:
NA
Mol. Formula:
C28H39N7O4SSi
M.W.:
597.82
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4856536 Name:
NA
Mol. Formula:
C30H38F3N7O4SSi
M.W.:
677.83
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA1098233 Name:
1-(5-chloro-2-methoxybenzyl)-N-(2-hydroxyethyl)-5-
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Mol. Formula:
C23H28ClN5O4S
M.W.:
506.03
Type:
Small molecule
AlogP:
3.73
Polar Surface Area:
118.37
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA1096523 Name:
N-(5-(1-(5-chloro-2-methoxybenzyl)-3-(morpholine-4
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Mol. Formula:
C25H30ClN5O4S
M.W.:
532.07
Type:
Small molecule
AlogP:
4.48
Polar Surface Area:
98.58
HBA:
8
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA1098499 Name:
1-(5-chloro-2-methoxybenzyl)-N-(4-methoxyphenyl)-5
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Mol. Formula:
C28H30ClN5O4S
M.W.:
568.10
Type:
Small molecule
AlogP:
6.27
Polar Surface Area:
107.37
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA1097861 Name:
N,1-dibenzyl-5-(4-methyl-2-pivalamidothiazol-5-yl)
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Mol. Formula:
C27H29N5O2S
M.W.:
487.63
Type:
Small molecule
AlogP:
5.28
Polar Surface Area:
88.91
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA1097860 Name:
1-allyl-N-benzyl-5-(4-methyl-2-pivalamidothiazol-5
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Mol. Formula:
C23H27N5O2S
M.W.:
437.57
Type:
Small molecule
AlogP:
4.42
Polar Surface Area:
88.91
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA1098779 Name:
1-allyl-N-(4-methoxyphenyl)-5-(4-methyl-2-pivalami
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Mol. Formula:
C23H27N5O3S
M.W.:
453.57
Type:
Small molecule
AlogP:
4.75
Polar Surface Area:
98.14
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA1098166 Name:
1-(4-bromophenyl)-N-(4-methoxyphenyl)-5-(4-methyl-
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Mol. Formula:
C26H26BrN5O3S
M.W.:
568.50
Type:
Small molecule
AlogP:
6.31
Polar Surface Area:
98.14
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA1099214 Name:
ethyl 1-benzyl-3-(4-methyl-2-pivalamidothiazol-5-y
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Mol. Formula:
C22H26N4O3S
M.W.:
426.54
Type:
Small molecule
AlogP:
4.52
Polar Surface Area:
86.11
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA4791435 Name:
(8-Methoxy-5-methyl-1,3,4,5-tetrahydro-2H-pyrido[4
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Mol. Formula:
C18H17F3N4O2
M.W.:
378.35
Type:
Unknown
AlogP:
3.13
Polar Surface Area:
63.15
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4790792 Name:
4-(6-Amino-9H-purin-9-yl)benzamide
Mol. Formula:
C12H10N6O
M.W.:
254.25
Type:
Unknown
AlogP:
0.50
Polar Surface Area:
112.71
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA4790232 Name:
4-(2-Amino-6-hydroxy-9H-purin-9-yl)benzamide
Mol. Formula:
C12H10N6O2
M.W.:
270.25
Type:
Unknown
AlogP:
0.20
Polar Surface Area:
132.94
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4789667 Name:
4-(2-(1-(benzo[d][1,3]dioxol-5-yl)cyclopropanecarb
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Mol. Formula:
C28H20N2O6S
M.W.:
512.54
Type:
Unknown
AlogP:
5.14
Polar Surface Area:
114.82
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4861993 Name:
NA
Mol. Formula:
C31H45N7O3SSi
M.W.:
623.90
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4782117 Name:
2-[2-[(3,4,5-trimethoxybenzoyl)amino]thiazol-4-yl]
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Mol. Formula:
C15H16N2O6S
M.W.:
352.37
Type:
Unknown
AlogP:
2.05
Polar Surface Area:
106.98
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA4781655 Name:
4-(2-Amino-9H-purin-9-yl)benzamide
Mol. Formula:
C12H10N6O
M.W.:
254.25
Type:
Unknown
AlogP:
0.50
Polar Surface Area:
112.71
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA4781649 Name:
1-(Benzo[d][1,3]dioxol-5-yl)-N-(5-(4-methylbenzoyl
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Mol. Formula:
C22H18N2O4S
M.W.:
406.46
Type:
Unknown
AlogP:
4.08
Polar Surface Area:
77.52
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
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