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ALA5203638 Name:
(S)-N5-(2-((S)-1,6-diamino-1-oxohexan-2-ylamino)-2-oxoethyl)-2-(3-((2R,6S)-Show More⌵
Mol. Formula:
C33H54FN7O5S
M.W.:
679.90
Type:
---
AlogP:
1.70
Polar Surface Area:
188.75
HBA:
8
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
22
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA5200679 Name:
(S)-3-(3',5'-dichloro-4'-methoxybiphenyl-3-yl)-2-(5-(5-methylfuran-2-yl)-1HShow More⌵
Mol. Formula:
C25H21Cl2N3O5
M.W.:
514.37
Type:
---
AlogP:
5.39
Polar Surface Area:
117.45
HBA:
5
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA5199784 Name:
(S)-2-(4-((1-(2-(3,4-dihydroxyphenyl)-2-oxoethyl)-1H-benzo[d]imidazole-6-caShow More⌵
Mol. Formula:
C35H32N10O6
M.W.:
688.70
Type:
---
AlogP:
3.06
Polar Surface Area:
233.13
HBA:
13
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA5198097 Name:
(2S)-methyl 3-(4'-chloro-2'-(trifluoromethyl)biphenyl-4-yl)-2-(2-(6-methyl-Show More⌵
Mol. Formula:
C28H24ClF3N2O4
M.W.:
544.96
Type:
---
AlogP:
5.66
Polar Surface Area:
84.50
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA5190490 Name:
(R)-2-(4-((1-(2-(3,4-dihydroxyphenyl)-2-oxoethyl)-1H-benzo[d]imidazole-6-caShow More⌵
Mol. Formula:
C36H32N8O7
M.W.:
688.70
Type:
---
AlogP:
4.09
Polar Surface Area:
216.58
HBA:
12
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA5187220 Name:
(S)-2-(4-((1-(2-(3,4-dihydroxyphenyl)-2-oxoethyl)-1H-benzo[d]imidazole-6-caShow More⌵
Mol. Formula:
C36H32N8O7
M.W.:
688.70
Type:
---
AlogP:
4.09
Polar Surface Area:
216.58
HBA:
12
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA5186116 Name:
(S)-2-(4-bromo-1,5-dimethyl-1H-pyrazole-3-carboxamido)-3-(4-(3-(3-p-tolylurShow More⌵
Mol. Formula:
C26H26BrN5O4
M.W.:
552.43
Type:
---
AlogP:
3.40
Polar Surface Area:
125.35
HBA:
5
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA5185903 Name:
(R)-2-(4-((1-(2-(3,4-dihydroxyphenyl)-2-oxoethyl)-1H-benzo[d]imidazole-6-caShow More⌵
Mol. Formula:
C35H32N10O6
M.W.:
688.70
Type:
---
AlogP:
3.06
Polar Surface Area:
233.13
HBA:
13
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA5183101 Name:
(R)-2-(4-bromo-1,5-dimethyl-1H-pyrazole-3-carboxamido)-3-(4-(3-(3-p-tolylurShow More⌵
Mol. Formula:
C26H26BrN5O4
M.W.:
552.43
Type:
---
AlogP:
3.40
Polar Surface Area:
125.35
HBA:
5
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA5179108 Name:
(2S)-3-(2-(1-(tert-butoxycarbonyl)-4-chloro-1H-indol-2-yl)phenyl)-2-(4-oxo-Show More⌵
Mol. Formula:
C31H27ClN4O6
M.W.:
587.03
Type:
---
AlogP:
5.18
Polar Surface Area:
132.00
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA5175183 Name:
(S)-5-((S)-1,6-diamino-1-oxohexan-2-ylamino)-4-((S)-4-(3-((2R,6S)-2,6-dimetShow More⌵
Mol. Formula:
C36H58FN7O7S
M.W.:
751.97
Type:
---
AlogP:
1.93
Polar Surface Area:
226.05
HBA:
9
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
25
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA5173448 Name:
(2S)-3-(4'-chloro-2'-(trifluoromethyl)biphenyl-4-yl)-2-(2-(6-methyl-2-oxoinShow More⌵
Mol. Formula:
C27H22ClF3N2O4
M.W.:
530.93
Type:
---
AlogP:
5.57
Polar Surface Area:
95.50
HBA:
3
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA5173145 Name:
(R)-3-(3',5'-dichloro-4'-methoxybiphenyl-3-yl)-2-(5-(5-methylfuran-2-yl)-1HShow More⌵
Mol. Formula:
C25H21Cl2N3O5
M.W.:
514.37
Type:
---
AlogP:
5.39
Polar Surface Area:
117.45
HBA:
5
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA5171390 Name:
(2R)-3-(2-(1-(tert-butoxycarbonyl)-4-chloro-1H-indol-2-yl)phenyl)-2-(4-oxo-Show More⌵
Mol. Formula:
C31H27ClN4O6
M.W.:
587.03
Type:
---
AlogP:
5.18
Polar Surface Area:
132.00
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA3774470 Name:
6-(Benzofuran-2-yl)-5,6-dihydroimidazo[2,1-b]thiazole
Mol. Formula:
C13H10N2OS
M.W.:
242.30
Type:
Small molecule
AlogP:
3.36
Polar Surface Area:
28.74
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA3774946 Name:
1-(Benzofuran-2-yl)-2-(2-iminothiazol-3(2H)-yl)ethanol
Mol. Formula:
C13H12N2O2S
M.W.:
260.32
Type:
Small molecule
AlogP:
2.51
Polar Surface Area:
62.15
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA3774723 Name:
1-(Benzofuran-2-yl)-2-(2-iminothiazol-3(2H)-yl)ethanone
Mol. Formula:
C13H10N2O2S
M.W.:
258.30
Type:
Small molecule
AlogP:
2.66
Polar Surface Area:
58.99
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
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