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ALA4579445 Name:
2-(3-(5-isopropylpyridine-2-sulfonamido)-2-(2-methoxyphenoxy)-5-(4-methylpiShow More⌵
Mol. Formula:
C35H40N6O8S
M.W.:
704.81
Type:
Unknown
AlogP:
5.22
Polar Surface Area:
161.52
HBA:
11
HBD:
2
#RO5 Violations:
3
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA4568795 Name:
sodium(S)-2-((R)-2-((R)-2-((2S,6R)-2,6-dimethylpiperidine-1-carboxamido)-4,Show More⌵
Mol. Formula:
C34H50N5NaO7
M.W.:
663.79
Type:
Unknown
AlogP:
4.82
Polar Surface Area:
159.07
HBA:
7
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4447655 Name:
4-(4-tert-butylphenylsulfonamido)-6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-Show More⌵
Mol. Formula:
C30H32N4O7S
M.W.:
592.67
Type:
Unknown
AlogP:
5.00
Polar Surface Area:
148.97
HBA:
9
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA4438411 Name:
3-(2-hydroxyethoxy)-4-(3-methoxyphenoxy)-5-(4-(methylthio)phenylsulfonamidoShow More⌵
Mol. Formula:
C29H28N2O7S2
M.W.:
580.68
Type:
Unknown
AlogP:
5.63
Polar Surface Area:
123.19
HBA:
8
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA4075238 Name:
sodium (R)-2-((R)-2-((S)-2-((2R,6S)-2,6-dimethylpiperidine-1-carboxamido)-4Show More⌵
Mol. Formula:
C34H50N5NaO7
M.W.:
663.79
Type:
Small molecule
AlogP:
4.82
Polar Surface Area:
159.07
HBA:
7
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA3885244 Name:
Endothelin-3
Mol. Formula:
C121H168N26O32S4
M.W.:
2627.09
Type:
Protein
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
endothelin-2 Name:
Endothelin-3
Mol. Formula:
C115H160N26O32S4
M.W.:
2546.96
Type:
Protein
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA2261602 Name:
rac-ethyl 3-(1-(benzo[d][1,3]dioxol-5-yl)-2-(2-methoxy-4-methylphenylsulfonShow More⌵
Mol. Formula:
C29H28N2O8S
M.W.:
564.62
Type:
Small molecule
AlogP:
4.04
Polar Surface Area:
122.16
HBA:
9
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA2261601 Name:
rac-2-(benzo[d][1,3]dioxol-5-yl)-N-(2-methoxy-4-methylphenylsulfonyl)-2-(6-Show More⌵
Mol. Formula:
C28H28N2O7S
M.W.:
536.61
Type:
Small molecule
AlogP:
4.01
Polar Surface Area:
105.09
HBA:
8
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA2261363 Name:
rac-2-(benzo[d][1,3]dioxol-5-yl)-2-(6-chloro-1-methyl-1H-indol-3-yl)-N-(2-mShow More⌵
Mol. Formula:
C26H23ClN2O6S
M.W.:
527.00
Type:
Small molecule
AlogP:
4.51
Polar Surface Area:
95.86
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA2261362 Name:
rac-2-(benzo[d][1,3]dioxol-5-yl)-2-(6-(hydroxymethyl)-1-methyl-1H-indol-3-yShow More⌵
Mol. Formula:
C26H24N2O6S
M.W.:
492.55
Type:
Small molecule
AlogP:
3.34
Polar Surface Area:
106.86
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA2261359 Name:
(+)-(S)-3-(1-(benzo[d][1,3]dioxol-5-yl)-2-(2-methoxy-4-methylphenylsulfonamShow More⌵
Mol. Formula:
C27H24N2O8S
M.W.:
536.56
Type:
Small molecule
AlogP:
3.56
Polar Surface Area:
133.16
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA2261356 Name:
rac-2-(benzo[d][1,3]dioxol-5-yl)-2-(1-ethyl-1H-indol-3-yl)-N-(4-isopropylphShow More⌵
Mol. Formula:
C28H28N2O5S
M.W.:
504.61
Type:
Small molecule
AlogP:
5.15
Polar Surface Area:
86.63
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA2165328 Name:
N-[6-[2-[(5-Bromo-2-pyrimidinyl)oxy]ethoxy]-5-(2-methoxyphenoxy)-4-pyrimidiShow More⌵
Mol. Formula:
C24H23BrN6O6S
M.W.:
603.46
Type:
Small molecule
AlogP:
3.73
Polar Surface Area:
146.68
HBA:
10
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA2165327 Name:
Sarafotoxin 6c
Mol. Formula:
C103H147N27O37S5
M.W.:
2515.80
Type:
Protein
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
aprocitentan Name:
N-[5-(4-Bromophenyl)-6-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy]-4-pyrimidinylShow More⌵
Mol. Formula:
C16H14Br2N6O4S
M.W.:
546.20
Type:
Small molecule
AlogP:
2.53
Polar Surface Area:
142.21
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA2163728 Name:
N-[6-[2-[(5-Bromo-2-pyrimidinyl)oxy]ethoxy]-5-(2-methoxyphenoxy)-2-(2-methoShow More⌵
Mol. Formula:
C27H29BrN6O8S
M.W.:
677.53
Type:
Small molecule
AlogP:
3.76
Polar Surface Area:
165.14
HBA:
12
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA2163727 Name:
N-[6-[2-[(5-Bromo-2-pyrimidinyl)oxy]ethoxy]-5-(2-methoxyphenoxy)-2-methoxy-Show More⌵
Mol. Formula:
C25H25BrN6O7S
M.W.:
633.48
Type:
Small molecule
AlogP:
3.74
Polar Surface Area:
155.91
HBA:
11
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA2163726 Name:
N-[6-[2-[(5-Bromo-2-pyrimidinyl)oxy]ethoxy]-5-(2-methoxyphenoxy)-2-cycloproShow More⌵
Mol. Formula:
C27H27BrN6O6S
M.W.:
643.52
Type:
Small molecule
AlogP:
4.61
Polar Surface Area:
146.68
HBA:
10
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA2163725 Name:
N-[6-[2-[(5-Bromo-2-pyrimidinyl)oxy]ethoxy]-5-(2-methoxyphenoxy)-2-(4-morphShow More⌵
Mol. Formula:
C28H30BrN7O7S
M.W.:
688.56
Type:
Small molecule
AlogP:
3.57
Polar Surface Area:
159.15
HBA:
12
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
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