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ALA5174955 Name:
7-[(1R,5S)-1-amino-5-fluoro-3-azabicyclo[3.3.0]oct
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Cas Number:
1356918-39-2
Mol. Formula:
C21H27ClF3N3O5
M.W.:
493.91
Type:
---
AlogP:
2.84
Polar Surface Area:
88.56
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA3275473 Name:
1,beta-Dimethyl-2-nitro-1H-imidazole-5-ethanol
Mol. Formula:
C7H11N3O3
M.W.:
185.18
Type:
Small molecule
AlogP:
0.42
Polar Surface Area:
81.19
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA3274659 Name:
8-(1-methyl-5-nitro-1H-imidazol-2-ylthio)octanoic
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Cas Number:
64444-88-8
Mol. Formula:
C12H19N3O4S
M.W.:
301.37
Type:
Small molecule
AlogP:
2.85
Polar Surface Area:
98.26
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA3274635 Name:
4-(2-(1-methyl-1H-imidazol-2-ylthio)ethoxy)benzoic
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Mol. Formula:
C13H14N2O3S
M.W.:
278.33
Type:
Small molecule
AlogP:
2.29
Polar Surface Area:
64.35
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA2335079 Name:
2-((8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,
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Mol. Formula:
C30H35NO8
M.W.:
537.61
Type:
Small molecule
AlogP:
3.65
Polar Surface Area:
144.04
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA2335078 Name:
(2-Nitro-phenyl)-acetic acid 2-((4aR,4bS,5S,6aS,6b
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Mol. Formula:
C33H39NO9
M.W.:
593.67
Type:
Small molecule
AlogP:
4.42
Polar Surface Area:
142.27
HBA:
9
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA2335077 Name:
3-(2-Nitro-phenyl)-propionic acid 2-((4aR,4bS,5S,6
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Mol. Formula:
C34H41NO9
M.W.:
607.70
Type:
Small molecule
AlogP:
4.81
Polar Surface Area:
142.27
HBA:
9
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA2335074 Name:
3-phenyl-N-(4-(5-p-tolyl-3-(trifluoromethyl)-1H-py
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Mol. Formula:
C26H22F3N3O3S
M.W.:
513.54
Type:
Small molecule
AlogP:
5.30
Polar Surface Area:
81.06
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA2335073 Name:
2-((8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,
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Mol. Formula:
C30H36O6
M.W.:
492.61
Type:
Small molecule
AlogP:
3.74
Polar Surface Area:
100.90
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
Type:
Small molecule
AlogP:
1.38
Polar Surface Area:
83.47
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA452731 Name:
2,2'-(4,4'-thiobis(4,1-phenylene))bis(N-isopropyl-
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Mol. Formula:
C34H34N8S
M.W.:
586.77
Type:
Small molecule
AlogP:
7.57
Polar Surface Area:
129.12
HBA:
5
HBD:
6
#RO5 Violations:
3
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA462451 Name:
2-(4-(4-(1H-benzo[d]imidazol-2-yl)phenethyl)phenyl
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Mol. Formula:
C32H30N6
M.W.:
498.63
Type:
Small molecule
AlogP:
6.88
Polar Surface Area:
93.24
HBA:
3
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA452741 Name:
N-isopropyl-2-(6-(4-(5-(N-isopropylcarbamimidoyl)-
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Mol. Formula:
C35H37N9
M.W.:
583.74
Type:
Small molecule
AlogP:
6.60
Polar Surface Area:
142.01
HBA:
5
HBD:
6
#RO5 Violations:
3
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
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