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ALA5290046 Name:
4-(azetidin-1-yl)-N-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)beShow More⌵
Mol. Formula:
C23H18N2O6S
M.W.:
450.47
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
2.88
Polar Surface Area:
124.01
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA5272742 Name:
(2R,4S)-1-((R)-2-(11-(4-(((4-((3-chloro-4-fluorophenyl)amino)-6-(3-(piperidShow More⌵
Mol. Formula:
C58H72ClFN12O6S
M.W.:
1119.81
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5188848 Name:
3-(4-(3-(4-(3-chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yloxy)propyShow More⌵
Mol. Formula:
C46H56ClFN8O7
M.W.:
887.45
Type:
---
AlogP:
6.25
Polar Surface Area:
167.56
HBA:
12
HBD:
3
#RO5 Violations:
3
#Rotatable Bonds:
22
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA5174578 Name:
(2S,4R)-1-((S)-2-(7-(4-(4-((9-((R)-1-acryloylpyrrolidin-3-yl)-8-(phenylaminShow More⌵
Mol. Formula:
C57H71N13O5S
M.W.:
1050.35
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5172485 Name:
(2S,4R)-N-((S)-3-((3-(4-(3-((4-((3-Chloro-4-fluorophenyl)amino)-7-methoxyquShow More⌵
Mol. Formula:
C53H63ClF2N10O8S
M.W.:
1073.66
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5171926 Name:
(2S,4R)-1-((S)-2-(8-(4-(4-((9-((R)-1-acryloylpiperidin-3-yl)-8-(phenylaminoShow More⌵
Mol. Formula:
C60H77N13O5S
M.W.:
1092.43
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5085885 Name:
(2S,4R)-1-((S)-2-(2-(2-(2-(4-(5-((4-((3-chloro-4-fluorophenyl)amino)-6-(4-(Show More⌵
Mol. Formula:
C58H72ClFN12O8S
M.W.:
1151.81
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5073614 Name:
[(3R,5S)-1-[(2S)-2-[[2-[2-[2-[4-[5-[4-(3-chloro-4-fluoro-anilino)-6-[[(E)-4Show More⌵
Mol. Formula:
C64H79ClFN15O12S
M.W.:
1336.95
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4800316 Name:
N-(2-(2,6-dioxopiperidin-3-yl)-1-oxoisoindolin-4-yl)-6-(4-(6-((2-((4-fluoroShow More⌵
Mol. Formula:
C47H53FN12O5
M.W.:
885.02
Type:
Unknown
AlogP:
5.34
Polar Surface Area:
201.15
HBA:
14
HBD:
5
#RO5 Violations:
3
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA4800267 Name:
(2S,4R)-1-((S)-2-((2-(2-(2-(4-(6-((2-((4-fluorophenyl)amino)-4-(4-(hydroxymShow More⌵
Mol. Formula:
C56H72FN13O6S
M.W.:
1074.34
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4799931 Name:
5,5'-Diallyl-3-((4-aminopiperidin-1-yl)methyl)-2'-ethoxy-[1,1'-biphenyl]-2-Show More⌵
Mol. Formula:
C26H34N2O2
M.W.:
406.57
Type:
Unknown
AlogP:
4.84
Polar Surface Area:
58.72
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA4799909 Name:
3-Amino-N-(1-((5,5'-diallyl-2,2'-dihydroxy-[1,1'-biphenyl]-3-yl)methyl)pipeShow More⌵
Mol. Formula:
C27H35N3O3
M.W.:
449.60
Type:
Unknown
AlogP:
3.65
Polar Surface Area:
98.82
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4799749 Name:
(S)-5,5'-diallyl-3-((3-aminopyrrolidin-1-yl)methyl)-[1,1'-biphenyl]-2,2'-diShow More⌵
Mol. Formula:
C23H28N2O2
M.W.:
364.49
Type:
Unknown
AlogP:
3.75
Polar Surface Area:
69.72
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA4799370 Name:
9-(2-cyclopropanesulfonyl)ethyl-N2-(4-(4-methylpiperazin-1-yl)phenyl)-N8-4-Show More⌵
Mol. Formula:
C27H32FN9O2S
M.W.:
565.68
Type:
Unknown
AlogP:
3.29
Polar Surface Area:
120.31
HBA:
10
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4798481 Name:
N-(2-(2,6-dioxopiperidin-3-yl)-1-oxoisoindolin-4-yl)-7-(4-(6-((2-((4-fluoroShow More⌵
Mol. Formula:
C48H55FN12O5
M.W.:
899.04
Type:
Unknown
AlogP:
5.73
Polar Surface Area:
201.15
HBA:
14
HBD:
5
#RO5 Violations:
3
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA4797701 Name:
9-(3-hydroxyacetamido)phenyl-N2-(4-(4-methylpiperazin-1-yl)phenyl)-N8-4-fluShow More⌵
Mol. Formula:
C30H30FN9O2
M.W.:
567.63
Type:
Unknown
AlogP:
4.12
Polar Surface Area:
123.47
HBA:
10
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA4797395 Name:
(S)-9-(1-hydroxyacetylpiperidine-3-yl)-N2-(4-(4-methylpiperazin-1-yl)phenylShow More⌵
Mol. Formula:
C29H34FN9O2
M.W.:
559.65
Type:
Unknown
AlogP:
3.36
Polar Surface Area:
114.68
HBA:
10
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4795878 Name:
(S)-9-(1-cyclopropylsulfonylpyrrolidine-3-yl)-N2-(4-(4-methylpiperazin-1-ylShow More⌵
Mol. Formula:
C29H35N9O2S
M.W.:
573.73
Type:
Unknown
AlogP:
3.80
Polar Surface Area:
111.52
HBA:
10
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4795612 Name:
(2S,4R)-1-((S)-2-(5-(4-(6-((2-((4-fluorophenyl)amino)-4-(4-(hydroxymethyppiShow More⌵
Mol. Formula:
C55H68FN13O5S
M.W.:
1042.30
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4795403 Name:
(S)-9-pyrrolidine-3-yl-N2-(4-(4-methylpiperazin-1-yl)phenyl)-N8-4-fluoropheShow More⌵
Mol. Formula:
C26H30FN9
M.W.:
487.59
Type:
Unknown
AlogP:
3.74
Polar Surface Area:
86.17
HBA:
9
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
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