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ALA5285742 Name:
Bromovulone III
Mol. Formula:
C21H29BrO4
M.W.:
425.36
Type:
---
AlogP:
4.93
Polar Surface Area:
63.60
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA5281863 Name:
Mol. Formula:
C28H32FN5O6
M.W.:
553.59
Type:
---
AlogP:
2.64
Polar Surface Area:
106.86
HBA:
10
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA5279556 Name:
Mol. Formula:
C25H26ClFN6O2S
M.W.:
529.04
Type:
---
AlogP:
4.82
Polar Surface Area:
71.47
HBA:
9
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4791071 Name:
4-(5-(Benzenesulfonamido)-1H-indol-1-yl)-N-methylp
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Mol. Formula:
C21H18N4O3S
M.W.:
406.47
Type:
Unknown
AlogP:
3.19
Polar Surface Area:
93.09
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA4791016 Name:
4-(5-(4-Chloro-3-(trifluoromethyl)benzamido)-1H-in
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Mol. Formula:
C23H16ClF3N4O2
M.W.:
472.85
Type:
Unknown
AlogP:
5.31
Polar Surface Area:
76.02
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4789550 Name:
N-(2-((3-(3,5-dimethoxybenzoyl)-1H-pyrrolo[2,3-b]p
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Mol. Formula:
C25H28N4O4
M.W.:
448.52
Type:
Unknown
AlogP:
3.84
Polar Surface Area:
105.34
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4756600 Name:
N-(2-((3-(3,5-dimethoxybenzoyl)-1H-pyrrolo[2,3-b]p
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Mol. Formula:
C24H22N4O5S
M.W.:
478.53
Type:
Unknown
AlogP:
4.44
Polar Surface Area:
122.41
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4756513 Name:
20-O-((4-methoxybenzoyl)carbamothioyl)-L-phenylala
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Mol. Formula:
C38H32N4O7S
M.W.:
688.76
Type:
Unknown
AlogP:
4.55
Polar Surface Area:
137.85
HBA:
10
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA4756330 Name:
20-O-((furan-2-carbonyl)carbamothioyl)glycinate-ca
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Mol. Formula:
C28H22N4O7S
M.W.:
558.57
Type:
Unknown
AlogP:
2.53
Polar Surface Area:
141.76
HBA:
10
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4755881 Name:
20-O-((3-fluorobenzoyl)carbamothioyl)-L-leucinate-
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Mol. Formula:
C34H31FN4O6S
M.W.:
642.71
Type:
Unknown
AlogP:
4.49
Polar Surface Area:
128.62
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA4777686 Name:
20-O-((cyclopentanecarbonyl)carbamothioyl)glycinat
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Mol. Formula:
C29H28N4O6S
M.W.:
560.63
Type:
Unknown
AlogP:
2.81
Polar Surface Area:
128.62
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4776487 Name:
4-(5-(3,5-Bis(trifluoromethyl)benzamido)-1H-indol-
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Mol. Formula:
C24H16F6N4O2
M.W.:
506.41
Type:
Unknown
AlogP:
5.68
Polar Surface Area:
76.02
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4764868 Name:
20-O-((4-fluorobenzoyl)carbamothioyl)glycinate-cam
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Mol. Formula:
C30H23FN4O6S
M.W.:
586.60
Type:
Unknown
AlogP:
3.07
Polar Surface Area:
128.62
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4764730 Name:
4-(5-(3,4-Dichlorobenzamido)-1H-indol-1-yl)-N-meth
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Mol. Formula:
C22H16Cl2N4O2
M.W.:
439.30
Type:
Unknown
AlogP:
4.94
Polar Surface Area:
76.02
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4764726 Name:
4-(5-(3,5-Bis(trifluoromethyl)benzenesulfonamido)-
Show More⌵
Mol. Formula:
C23H16F6N4O3S
M.W.:
542.46
Type:
Unknown
AlogP:
5.22
Polar Surface Area:
93.09
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4764642 Name:
20-O-((3-fluorobenzoyl)carbamothioyl)glycinate-cam
Show More⌵
Mol. Formula:
C30H23FN4O6S
M.W.:
586.60
Type:
Unknown
AlogP:
3.07
Polar Surface Area:
128.62
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4764604 Name:
20-O-(3-(3-(thiophene-2-carbonyl)thioureido)propan
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Mol. Formula:
C29H24N4O6S2
M.W.:
588.67
Type:
Unknown
AlogP:
3.39
Polar Surface Area:
128.62
HBA:
10
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA4764591 Name:
20-O-(4-(3-(2-naphthoyl)thioureido)butanoate)campt
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Mol. Formula:
C36H30N4O6S
M.W.:
646.73
Type:
Unknown
AlogP:
4.87
Polar Surface Area:
128.62
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA4525290 Name:
1-(2-(2-(2-(2-(4-((2S,3R)-4-(3,4-dimethoxyphenyl)-
Show More⌵
Mol. Formula:
C32H45N3O9
M.W.:
615.72
Type:
Unknown
AlogP:
5.00
Polar Surface Area:
125.57
HBA:
11
HBD:
---
#RO5 Violations:
3
#Rotatable Bonds:
22
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA5275086 Name:
2-methylquinolin-8-yl 4-(bromomethyl)benzenesulfon
Show More⌵
Mol. Formula:
C17H14BrNO3S
M.W.:
392.27
Type:
---
AlogP:
4.21
Polar Surface Area:
56.26
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
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