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ALA5198785 Name:
N-(4-((E)-3,5-dimethoxy-2-((E)-2-nitrovinyl)styryl)phenyl)-1-naphthamide
Mol. Formula:
C29H24N2O5
M.W.:
480.52
Type:
---
AlogP:
6.53
Polar Surface Area:
90.70
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA5198758 Name:
((R)-1-((S)-2-(2,5-Dichlorobenzamido)-3-hydroxypropanamido)-3-methylbutyl)bShow More⌵
Mol. Formula:
C15H21BCl2N2O5
M.W.:
391.06
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5198655 Name:
N-(4-((E)-3,5-dimethoxy-2-((E)-2-nitrovinyl)styryl)phenyl)-4-iodobenzamide
Mol. Formula:
C25H21IN2O5
M.W.:
556.36
Type:
---
AlogP:
5.98
Polar Surface Area:
90.70
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA5197214 Name:
N,N-dibutyl-4-((3-(5-chloro-2-methoxybenzyl)-4-oxo-2-thioxothiazolidin-5-ylShow More⌵
Mol. Formula:
C26H31ClN2O4S3
M.W.:
567.20
Type:
---
AlogP:
6.34
Polar Surface Area:
66.92
HBA:
6
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA5196947 Name:
N-(4-((E)-3,5-dimethoxy-2-((E)-2-nitrovinyl)styryl)phenyl)tetrahydrofuran-2Show More⌵
Mol. Formula:
C23H24N2O6
M.W.:
424.45
Type:
---
AlogP:
4.24
Polar Surface Area:
99.93
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA5196758 Name:
N-(4-(N-(prop-2-yn-1-yl)sulfamoyl)phenethyl)-N-(2-propoxybenzyl)-2-(thiopheShow More⌵
Mol. Formula:
C27H30N2O4S2
M.W.:
510.68
Type:
---
AlogP:
4.26
Polar Surface Area:
75.71
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA5196305 Name:
((R)-1-((S)-2-(2,3-Dichlorobenzamido)-3-phenylpropanamido)-3-methylbutyl)boShow More⌵
Mol. Formula:
C21H25BCl2N2O4
M.W.:
451.16
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5196153 Name:
N-(4-((E)-3,5-dimethoxy-2-((E)-2-nitrovinyl)styryl)phenyl)picolinamide
Mol. Formula:
C24H21N3O5
M.W.:
431.45
Type:
---
AlogP:
4.77
Polar Surface Area:
103.59
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA5205803 Name:
Sodium ((4-(2-hydroxypropan-2-yl)furan-2-yl)sulfonyl)((4-methoxyphenyl)carbShow More⌵
Mol. Formula:
C15H17N2NaO6S
M.W.:
376.37
Type:
---
AlogP:
2.03
Polar Surface Area:
117.87
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA5205215 Name:
2-(benzo[b]thiophen-3-yl)-N-(5-chloro-2-propoxybenzyl)-N-(4-(N-(prop-2-yn-1Show More⌵
Mol. Formula:
C31H31ClN2O4S2
M.W.:
595.19
Type:
---
AlogP:
6.07
Polar Surface Area:
75.71
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA5204830 Name:
N-(5-chloro-2-propoxybenzyl)-N-(4-(morpholinosulfonyl)phenethyl)-2-(thiopheShow More⌵
Mol. Formula:
C28H33ClN2O5S2
M.W.:
577.17
Type:
---
AlogP:
5.03
Polar Surface Area:
76.15
HBA:
6
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA5204678 Name:
4-((3-(3-chlorobenzyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzenesuShow More⌵
Mol. Formula:
C17H13ClN2O3S3
M.W.:
424.96
Type:
---
AlogP:
3.39
Polar Surface Area:
80.47
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA5204615 Name:
4-((3-(5-chloro-2-methoxybenzyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methylShow More⌵
Mol. Formula:
C26H23ClN2O4S3
M.W.:
559.13
Type:
---
AlogP:
5.27
Polar Surface Area:
75.71
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA5203350 Name:
N-(4-((E)-3,5-dimethoxy-2-((E)-2-nitrovinyl)styryl)phenyl)-3-methylbenzamidShow More⌵
Mol. Formula:
C26H24N2O5
M.W.:
444.49
Type:
---
AlogP:
5.68
Polar Surface Area:
90.70
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA5202911 Name:
N-(4-((E)-3,5-dimethoxy-2-((E)-2-nitrovinyl)styryl)phenyl)-3-methoxybenzamiShow More⌵
Mol. Formula:
C26H24N2O6
M.W.:
460.49
Type:
---
AlogP:
5.38
Polar Surface Area:
99.93
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA5202588 Name:
N-(2-amino-5-chlorobenzyl)-N-(4-(N-(prop-2-yn-1-yl)sulfamoyl)phenethyl)-2-(Show More⌵
Mol. Formula:
C24H24ClN3O3S2
M.W.:
502.06
Type:
---
AlogP:
3.71
Polar Surface Area:
92.50
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA5201235 Name:
Sodium (benzo[d][1,3]dioxol-5-ylcarbamoyl)((4-(2-hydroxypropan-2-yl)furan-2Show More⌵
Mol. Formula:
C15H15N2NaO7S
M.W.:
390.35
Type:
---
AlogP:
1.75
Polar Surface Area:
127.10
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA5200746 Name:
Callinteger B
Mol. Formula:
C23H32O5
M.W.:
388.50
Type:
---
AlogP:
4.16
Polar Surface Area:
69.67
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA5199809 Name:
4-((3-(5-chloro-2-methoxybenzyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methylShow More⌵
Mol. Formula:
C21H17ClN2O4S3
M.W.:
493.03
Type:
---
AlogP:
3.66
Polar Surface Area:
75.71
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA5199637 Name:
N-(benzo[d][1,3]dioxol-4-ylmethyl)-4-fluoro-N-(4-(N-(prop-2-yn-1-yl)sulfamoShow More⌵
Mol. Formula:
C26H23FN2O5S
M.W.:
494.54
Type:
---
AlogP:
3.35
Polar Surface Area:
84.94
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
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