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ALA5286872 Name:
2-(5-chlorothiophen-2-yl)-N-(1-(4-((S)-1-(dimethyl
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Mol. Formula:
C20H23ClFN3O3S2
M.W.:
472.01
Type:
---
AlogP:
3.86
Polar Surface Area:
69.72
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA5291366 Name:
5-chloro-N-(2-(N-(1-isopropylpiperidin-4-yl)sulfam
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Mol. Formula:
C15H24ClN3O3S2
M.W.:
393.96
Type:
---
AlogP:
1.92
Polar Surface Area:
78.51
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA1160895 Name:
3-(7-Carbamimidoyl-naphthalen-2-yl)-2-{4-[1-(1-imi
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Mol. Formula:
C27H30N4O3
M.W.:
458.56
Type:
Small molecule
AlogP:
4.38
Polar Surface Area:
123.49
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA1160812 Name:
Cyclic urea 2,4-diazepin-3-one analogue
Mol. Formula:
C27H32F6N6O7S
M.W.:
698.64
Type:
Small molecule
AlogP:
2.43
Polar Surface Area:
136.82
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA1160810 Name:
Cyclic urea 2,4-diazepin-3-one analogue
Mol. Formula:
C27H32F6N6O5
M.W.:
634.58
Type:
Small molecule
AlogP:
3.05
Polar Surface Area:
89.55
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA1160794 Name:
Cyclic urea 2,4-diazepin-3-one analogue
Mol. Formula:
C27H32F6N6O5
M.W.:
634.58
Type:
Small molecule
AlogP:
3.05
Polar Surface Area:
89.55
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA1160793 Name:
Cyclic urea 2,4-diazepin-3-one analogue
Mol. Formula:
C27H32F6N6O5
M.W.:
634.58
Type:
Small molecule
AlogP:
3.05
Polar Surface Area:
89.55
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA1160792 Name:
Cyclic urea 2,4-diazepin-3-one analogue
Mol. Formula:
C27H32F6N6O7S
M.W.:
698.64
Type:
Small molecule
AlogP:
2.38
Polar Surface Area:
123.69
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA1160791 Name:
Cyclic urea 2,4-diazepin-3-one analogue
Mol. Formula:
C27H32F6N6O7S
M.W.:
698.64
Type:
Small molecule
AlogP:
2.43
Polar Surface Area:
136.82
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA1160518 Name:
Cyclic urea 2,4-diazepin-3-one analogue
Mol. Formula:
C27H32F6N6O7S
M.W.:
698.64
Type:
Small molecule
AlogP:
2.43
Polar Surface Area:
136.82
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4548476 Name:
Ethyl (4R,4aS,6aR,9S,11aR,11bS,E)-8-(((2-chlorothi
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Mol. Formula:
C26H37ClN2O3S
M.W.:
493.11
Type:
Unknown
AlogP:
7.04
Polar Surface Area:
60.78
HBA:
6
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4550333 Name:
Ethyl (4R,4aS,6aR,9S,11aR,11bS,E)-8-(((2,5-dichlor
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Mol. Formula:
C29H39Cl2NO3
M.W.:
520.54
Type:
Unknown
AlogP:
8.23
Polar Surface Area:
47.89
HBA:
4
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4549971 Name:
Ethyl (4R,4aS,6aR,9S,11aR,11bS,E)-8-(((1,3-dimethy
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Mol. Formula:
C28H43N3O3
M.W.:
469.67
Type:
Unknown
AlogP:
5.97
Polar Surface Area:
65.71
HBA:
6
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4525061 Name:
Ethyl (4R,4aS,6aR,9S,11aR,11bS,E)-8-(((1,3-dioxola
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Mol. Formula:
C26H41NO5
M.W.:
447.62
Type:
Unknown
AlogP:
5.10
Polar Surface Area:
66.35
HBA:
6
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA5276447 Name:
(R)-2-(3-((3S,5S,7S)-adamantan-1-yl)ureido)-3-(4-c
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Mol. Formula:
C29H37N5O2
M.W.:
487.65
Type:
---
AlogP:
3.51
Polar Surface Area:
120.10
HBA:
3
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA5276446 Name:
2-(5-chlorothiophen-2-yl)-N-(1-(4-((R)-1-(dimethyl
Show More⌵
Mol. Formula:
C20H23ClFN3O3S2
M.W.:
472.01
Type:
---
AlogP:
3.86
Polar Surface Area:
69.72
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA5269594 Name:
2-(5-chlorothiophen-2-yl)-N-(1-(4-(1-(dimethylamin
Show More⌵
Mol. Formula:
C20H23ClFN3O3S2
M.W.:
472.01
Type:
---
AlogP:
3.86
Polar Surface Area:
69.72
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA5266057 Name:
1-(3-((3aS,4R,8aS,8bR)-4-(5-(5-chlorothiophen-2-yl
Show More⌵
Mol. Formula:
C25H32ClN4O4S+
M.W.:
520.08
Type:
---
AlogP:
3.17
Polar Surface Area:
86.88
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA5208176 Name:
1-((4-Chlorophenylcarbamoyl)methyl)-N-(1-isopropyl
Show More⌵
Mol. Formula:
C21H27ClN4O2
M.W.:
402.93
Type:
---
AlogP:
3.38
Polar Surface Area:
66.37
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA5206688 Name:
N-(1-isopropylpiperidin-4-yl)-1-(2-oxo-2-(phenylam
Show More⌵
Mol. Formula:
C25H30N4O2
M.W.:
418.54
Type:
---
AlogP:
3.88
Polar Surface Area:
66.37
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
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