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ALA4798885 Name:
4-Hydroxy-(1,1':3',1''-terphenyl]-3-carboxylic Acid
Mol. Formula:
C19H14O3
M.W.:
290.32
Type:
Unknown
AlogP:
4.42
Polar Surface Area:
57.53
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4797549 Name:
5-Cyclopentyl-2-hydroxybenzoic Acid
Mol. Formula:
C12H14O3
M.W.:
206.24
Type:
Unknown
AlogP:
2.75
Polar Surface Area:
57.53
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.78
DETAILS
CLOSE
ALA4796997 Name:
2-(3-((5-cyano-4-oxo-6-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidin-2-ylthioShow More⌵
Mol. Formula:
C18H15N3O3S2
M.W.:
385.47
Type:
Unknown
AlogP:
2.55
Polar Surface Area:
102.22
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA4790894 Name:
4-Hydroxy-3'-(hydroxymethyl)-[1,1'-biphenyl]-3-carboxylic Acid
Mol. Formula:
C14H12O4
M.W.:
244.25
Type:
Unknown
AlogP:
2.25
Polar Surface Area:
77.76
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA4790591 Name:
2',4'-Difluoro-3-(hydroxymethyl)-(1,1'-biphenyl)-4-ol
Mol. Formula:
C13H10F2O2
M.W.:
236.22
Type:
Unknown
AlogP:
2.83
Polar Surface Area:
40.46
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.84
DETAILS
CLOSE
ALA4786884 Name:
5-(Cyclopent-1-en-1-yl)-hydroxybenzoic Acid
Mol. Formula:
C12H12O3
M.W.:
204.22
Type:
Unknown
AlogP:
2.66
Polar Surface Area:
57.53
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.78
DETAILS
CLOSE
ALA4777943 Name:
2'4'-Difluoro-4-hydroxy-[1,1'-biphenyl]-3-carboxamide
Mol. Formula:
C13H9F2NO2
M.W.:
249.22
Type:
Unknown
AlogP:
2.44
Polar Surface Area:
63.32
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
ALA4777331 Name:
4-Hydroxy-2',3',4',5'-tetrahydro-[1,1'-biphenyl]-3-carboxylic Acid
Mol. Formula:
C13H14O3
M.W.:
218.25
Type:
Unknown
AlogP:
3.05
Polar Surface Area:
57.53
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA4777218 Name:
3'-Benzyl-4-hydroxy-[1,1'-biphenyl]-3-carboxylic Acid
Mol. Formula:
C20H16O3
M.W.:
304.35
Type:
Unknown
AlogP:
4.35
Polar Surface Area:
57.53
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4777119 Name:
4-Hydroxy-3'-(2-hydroxyethyl)-[1,1'-biphenyl]-3-carboxylate
Mol. Formula:
C15H14O4
M.W.:
258.27
Type:
Unknown
AlogP:
2.29
Polar Surface Area:
77.76
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA4582919 Name:
(E)-6-(2-(3',5'-difluoro-4'-hydroxy[1,1'-biphenyl]-2-yl)vinyl)-4-oxo-2-thioShow More⌵
Mol. Formula:
C19H11F2N3O2S
M.W.:
383.38
Type:
Unknown
AlogP:
4.13
Polar Surface Area:
92.67
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA4580504 Name:
3-((5-cyano-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidin-2-ylthio)methyl)benzoShow More⌵
Mol. Formula:
C17H11N3O4S
M.W.:
353.36
Type:
Unknown
AlogP:
2.89
Polar Surface Area:
119.98
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA4578242 Name:
3-((5-cyano-6-oxo-4-(thiophen-3-yl)-1,6-dihydropyrimidin-2-ylthio)methyl)beShow More⌵
Mol. Formula:
C17H11N3O3S2
M.W.:
369.43
Type:
Unknown
AlogP:
3.36
Polar Surface Area:
106.84
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA4574277 Name:
(E)-2-(2-methoxy-6-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vShow More⌵
Mol. Formula:
C15H13N3O8
M.W.:
363.28
Type:
Unknown
AlogP:
0.61
Polar Surface Area:
164.62
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4553502 Name:
6-oxo-2-(3-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)benzylthio)-4-(thiophen-Show More⌵
Mol. Formula:
C18H11N5O3S2
M.W.:
409.45
Type:
Unknown
AlogP:
3.01
Polar Surface Area:
128.43
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4545578 Name:
(E)-2-(2-(2-(5-cyano-6-oxo-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)Show More⌵
Mol. Formula:
C16H13N3O5S
M.W.:
359.36
Type:
Unknown
AlogP:
1.95
Polar Surface Area:
128.20
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA4531966 Name:
(E)-2-(2-(2-(5-cyano-6-oxo-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)Show More⌵
Mol. Formula:
C18H17N3O5S
M.W.:
387.42
Type:
Unknown
AlogP:
2.73
Polar Surface Area:
128.20
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA4530672 Name:
3'-(5-cyano-6-oxo-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-yl)[1,1'-biphenyl]Show More⌵
Mol. Formula:
C18H11N3O3S
M.W.:
349.37
Type:
Unknown
AlogP:
3.34
Polar Surface Area:
109.74
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4530111 Name:
ethyl-3-((5-cyano-6-oxo-4-p-tolyl-1,6-dihydropyrimidin-2-ylthio)methyl)benzShow More⌵
Mol. Formula:
C22H19N3O3S
M.W.:
405.48
Type:
Unknown
AlogP:
4.09
Polar Surface Area:
95.84
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4514322 Name:
(E)-2-(3-(2-(5-cyano-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)phenoShow More⌵
Mol. Formula:
C15H11N3O5
M.W.:
313.27
Type:
Unknown
AlogP:
0.57
Polar Surface Area:
136.04
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
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