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ALA5285684 Name:
1-[(7S,8R)-7-hydroxy-6,6-dimethyl-7,8-dihydropyran
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Mol. Formula:
C16H19N3O4
M.W.:
317.35
Type:
---
AlogP:
1.81
Polar Surface Area:
88.69
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
ALA5280420 Name:
(E)-methyl 2-(butoxycarbonylamino)-3-(3-(4-(N'-(2,
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Mol. Formula:
C23H26F3N5O9
M.W.:
573.48
Type:
---
AlogP:
1.78
Polar Surface Area:
193.67
HBA:
11
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA1093423 Name:
(1S)-1,5-Anhydro-1-[5-(4-ethoxybenzyl)-2-methoxy-4
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Cas Number:
898537-18-3
Mol. Formula:
C23H30O6S
M.W.:
434.55
Type:
Small molecule
AlogP:
2.22
Polar Surface Area:
99.38
HBA:
7
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA1160558 Name:
7-benzyl-3-(cyclopropylmethyl)-9,9-(1,3-dithiolan-
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Mol. Formula:
C20H29N3S2
M.W.:
375.61
Type:
Small molecule
AlogP:
3.14
Polar Surface Area:
18.51
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
Type:
Small molecule
AlogP:
3.06
Polar Surface Area:
77.85
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA4092741 Name:
4-((6-(3-cyclopentylureido)-1H-indazol-1-yl)methyl
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Mol. Formula:
C28H29N5O5S
M.W.:
547.64
Type:
Small molecule
AlogP:
4.28
Polar Surface Area:
131.42
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
Type:
Unknown
AlogP:
4.93
Polar Surface Area:
74.79
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA4561901 Name:
N-(3-((3S,4aS,5R,7aS)-2-amino-3-cyano-3,5-dimethyl
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Mol. Formula:
C23H21FN6O2
M.W.:
432.46
Type:
Unknown
AlogP:
2.87
Polar Surface Area:
137.18
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA4069245 Name:
(R)-8-(2-hydroxy-2-(4-methyl-1-oxo-1,3-dihydroisob
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Mol. Formula:
C24H28N4O5
M.W.:
452.51
Type:
Small molecule
AlogP:
1.31
Polar Surface Area:
104.97
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA4068506 Name:
Isopropyl (S)-2-[[[[(S)-4,11-Diethyl-4-hydroxy-3,1
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Mol. Formula:
C30H36N3O9P
M.W.:
613.60
Type:
Small molecule
AlogP:
3.75
Polar Surface Area:
155.28
HBA:
11
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA4068143 Name:
1-(2-Chloro-3'-fluoro-5-methoxy-[1,1'-biphenyl]-4-
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Mol. Formula:
C25H17ClFN3O5S
M.W.:
525.95
Type:
Small molecule
AlogP:
5.45
Polar Surface Area:
114.29
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA3792396 Name:
2-(4-(2-(N-(4-chlorophenyl)picolinamido)ethyl)-3,4
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Mol. Formula:
C24H22ClN3O5
M.W.:
467.91
Type:
Small molecule
AlogP:
3.74
Polar Surface Area:
92.20
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4079329 Name:
Isopropyl (2S)-2-[[[(8R,9S,13S,14S,17S)-17-Hydroxy
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Mol. Formula:
C26H40NO6P
M.W.:
493.58
Type:
Small molecule
AlogP:
5.01
Polar Surface Area:
94.09
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4242594 Name:
N2-(2-ethoxy-4-(4-methyl-4H-1,2,4-triazol-3-yl)phe
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Mol. Formula:
C24H32Cl2N8O
M.W.:
519.48
Type:
Small molecule
AlogP:
4.73
Polar Surface Area:
102.67
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4207531 Name:
2-(3-(4-amino-6-(1-methyl-1H-pyrazol-4-ylamino)-1,
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Mol. Formula:
C26H25FN8O6S
M.W.:
596.60
Type:
Small molecule
AlogP:
3.41
Polar Surface Area:
136.77
HBA:
10
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4205901 Name:
5-amino-3,4-dimethyl-N-(4-(trifluoromethylsulfonyl
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Mol. Formula:
C17H16ClF3N4O3S2
M.W.:
480.92
Type:
Small molecule
AlogP:
3.11
Polar Surface Area:
115.04
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA4167017 Name:
(5(3)S,2R,7S,10S,E)-10-Isopropyl-2,7-dimethyl-5(1)
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Mol. Formula:
C28H35N5O5
M.W.:
521.62
Type:
Small molecule
AlogP:
2.40
Polar Surface Area:
129.73
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4103004 Name:
(R)-8-(2-hydroxy-2-(4-methyl-1-oxo-1,3-dihydroisob
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Mol. Formula:
C24H28N4O5
M.W.:
452.51
Type:
Small molecule
AlogP:
2.02
Polar Surface Area:
105.09
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA4098878 Name:
2-(3-Fluorophenyl)-4-[(3S)-piperidin-3-ylamino]thi
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Mol. Formula:
C19H19FN4OS
M.W.:
370.45
Type:
Small molecule
AlogP:
3.37
Polar Surface Area:
80.04
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
Type:
Small molecule
AlogP:
4.35
Polar Surface Area:
80.45
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
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