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ALA5280830 Name:
(2R)-6-([1,1'-biphenyl]-4-ylmethoxy)-5,7-dibromo-N-((4-chloro-3-nitrophenylShow More⌵
Mol. Formula:
C38H28Br2ClN3O6S
M.W.:
849.99
Type:
---
AlogP:
8.97
Polar Surface Area:
139.40
HBA:
7
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA5279723 Name:
4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1Show More⌵
Mol. Formula:
C60H63ClN10O14S
M.W.:
1215.74
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5276934 Name:
4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1Show More⌵
Mol. Formula:
C63H68ClN11O15S
M.W.:
1286.82
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5270107 Name:
4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1Show More⌵
Mol. Formula:
C56H55ClN10O12S
M.W.:
1127.63
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5268884 Name:
(2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-N-{4-Show More⌵
Mol. Formula:
C72H72Cl3F2N11O9S
M.W.:
1411.86
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5271820 Name:
(2R)-6-([1,1'-biphenyl]-4-ylmethoxy)-5,7-dibromo-N-((4-chloro-3-nitrophenylShow More⌵
Mol. Formula:
C37H28Br2ClN3O8S
M.W.:
869.97
Type:
---
AlogP:
9.01
Polar Surface Area:
158.75
HBA:
8
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA5283597 Name:
(2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-N-[4-Show More⌵
Mol. Formula:
C76H80Cl3F2N11O11S
M.W.:
1499.96
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5283370 Name:
(4S,7S,13S,16S,19S,22S)-22-((S)-2-((S)-2-((2S,3S)-2-acetamido-3-methylpentaShow More⌵
Mol. Formula:
C59H95N19O19
M.W.:
1374.52
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5198074 Name:
rac-N-(4-(1-(4-Chlorobenzoyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl)phShow More⌵
Mol. Formula:
C21H18ClN3O4S
M.W.:
443.91
Type:
---
AlogP:
4.30
Polar Surface Area:
91.98
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA5197825 Name:
rac-tert-butyl (4-(5-phenyl-1-(4-(2,2,2-trifluoroacetyl)benzoyl)-4,5-dihydrShow More⌵
Mol. Formula:
C29H26F3N3O4
M.W.:
537.54
Type:
---
AlogP:
6.77
Polar Surface Area:
88.07
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA5197785 Name:
rac-Isopropyl 4-(1-(4-bromobenzoyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)beShow More⌵
Mol. Formula:
C26H23BrN2O3
M.W.:
491.39
Type:
---
AlogP:
6.01
Polar Surface Area:
58.97
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA5196944 Name:
rac-tert-Butyl (4-(1-(4-bromobenzoyl)-4-methyl-5-phenyl-4,5-dihydro-1H-pyraShow More⌵
Mol. Formula:
C28H28BrN3O3
M.W.:
534.45
Type:
---
AlogP:
7.03
Polar Surface Area:
71.00
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA5196601 Name:
rac-tert-butyl (4-(1-(4-bromobenzoyl)-5-(pyridin-2-yl)-4,5-dihydro-1H-pyrazShow More⌵
Mol. Formula:
C26H25BrN4O3
M.W.:
521.42
Type:
---
AlogP:
6.18
Polar Surface Area:
83.89
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA5205908 Name:
rac-N-(4-(5-(furan-2-yl)-1-(3-methylbenzoyl)-4,5-dihydro-1H-pyrazol-3-yl)phShow More⌵
Mol. Formula:
C22H21N3O4S
M.W.:
423.49
Type:
---
AlogP:
3.95
Polar Surface Area:
91.98
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA5205655 Name:
rac-tert-Butyl (6-(1-(4-bromobenzoyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)Show More⌵
Mol. Formula:
C26H25BrN4O3
M.W.:
521.42
Type:
---
AlogP:
6.18
Polar Surface Area:
83.89
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA5204882 Name:
rac-N-(4-(5-(Furan-2-yl)-1-(4-(trifluoromethyl)benzoyl)-4,5-dihydro-1H-pyraShow More⌵
Mol. Formula:
C22H18F3N3O4S
M.W.:
477.46
Type:
---
AlogP:
4.66
Polar Surface Area:
91.98
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA5204089 Name:
rac-N-(4-(5-(furan-2-yl)-1-(4-nitrobenzoyl)-4,5-dihydro-1H-pyrazol-3-yl)pheShow More⌵
Mol. Formula:
C21H18N4O6S
M.W.:
454.46
Type:
---
AlogP:
3.55
Polar Surface Area:
135.12
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA5203263 Name:
rac-1-(4-(1-(4-Bromobenzoyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenyl)-3Show More⌵
Mol. Formula:
C26H25BrN4O2
M.W.:
505.42
Type:
---
AlogP:
5.97
Polar Surface Area:
73.80
HBA:
3
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA5203092 Name:
rac-N-(4-(1-benzoyl-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl)methaShow More⌵
Mol. Formula:
C21H19N3O4S
M.W.:
409.47
Type:
---
AlogP:
3.64
Polar Surface Area:
91.98
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA5203025 Name:
rac-tert-butyl (4-(1-(4-bromobenzoyl)-5-(thiazol-2-yl)-4,5-dihydro-1H-pyrazShow More⌵
Mol. Formula:
C24H23BrN4O3S
M.W.:
527.44
Type:
---
AlogP:
6.24
Polar Surface Area:
83.89
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
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