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ALA5085634 Name:
2'-Deoxy-2',2'-difluoro-D-cytidine-5'-O-[phenyl(benzyloxy-L-alaninyl)]phospShow More⌵
Mol. Formula:
C25H27F2N4O8P
M.W.:
580.48
Type:
Unknown
AlogP:
2.64
Polar Surface Area:
164.23
HBA:
11
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA5079639 Name:
(2S)-benzyl 2-(((((2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-4,4-difluoShow More⌵
Mol. Formula:
C25H27F2N4O8P
M.W.:
580.48
Type:
Unknown
AlogP:
2.64
Polar Surface Area:
164.23
HBA:
11
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA4211912 Name:
Germacrone-4,5-epoxide
Mol. Formula:
C15H22O2
M.W.:
234.34
Type:
Small molecule
AlogP:
3.57
Polar Surface Area:
29.60
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4099161 Name:
Methyl (1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8, 9Show More⌵
Mol. Formula:
C16H20O5
M.W.:
292.33
Type:
Small molecule
AlogP:
1.92
Polar Surface Area:
65.13
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4098312 Name:
4-(Trifluoromethyl)benzyl (1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxoShow More⌵
Mol. Formula:
C23H23F3O5
M.W.:
436.43
Type:
Small molecule
AlogP:
4.50
Polar Surface Area:
65.13
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4091140 Name:
(1aR,7aS,10aS,10bS,E)-1a-Methyl-8-methylene-5-(piperidine-1-carbonyl)-2,3,6Show More⌵
Mol. Formula:
C20H27NO4
M.W.:
345.44
Type:
Small molecule
AlogP:
2.75
Polar Surface Area:
59.14
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4088726 Name:
4-((1aR,7aS,10aS,10bS,E)-1a-Methyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8,9,10a,Show More⌵
Mol. Formula:
C21H27F3N2O6
M.W.:
460.45
Type:
Small molecule
AlogP:
1.17
Polar Surface Area:
71.17
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4088010 Name:
(1aR,1a'R,4E,4'E,7aS,7a'S,10aS,10bS,10a'S,10b'S)-5,5'-(piperazine-1,4-dicarShow More⌵
Mol. Formula:
C34H42N2O8
M.W.:
606.72
Type:
Small molecule
AlogP:
3.17
Polar Surface Area:
118.28
HBA:
8
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4087934 Name:
((1aR,7aS,10aS,10bS,E)-1a-Methyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8,9,10a, 1Show More⌵
Mol. Formula:
C24H26O5
M.W.:
394.47
Type:
Small molecule
AlogP:
4.00
Polar Surface Area:
65.13
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4085298 Name:
(1aR,7aS,10aS,10bS,E)-5-(methoxymethyl)-1a-methyl-8-methylene-2,3,6,7,7a,8,Show More⌵
Mol. Formula:
C16H22O4
M.W.:
278.35
Type:
Small molecule
AlogP:
2.39
Polar Surface Area:
48.06
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4083359 Name:
(1aR,7aS,10aS,10bS,E)-1a-Methyl-8-methylene-5-(4-phenylpiperidine-1-carbonyShow More⌵
Mol. Formula:
C26H31NO4
M.W.:
421.54
Type:
Small molecule
AlogP:
4.15
Polar Surface Area:
59.14
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4082766 Name:
(1aR,7aS,10aS,10bS,E)-5-(((4-methoxybenzyl)oxy)methyl)-1a-methyl-8-methylenShow More⌵
Mol. Formula:
C23H28O5
M.W.:
384.47
Type:
Small molecule
AlogP:
3.97
Polar Surface Area:
57.29
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4077243 Name:
(1aR,7aS,10aS,10bS,E)-N,N-diethyl-1a-methyl-8-methylene-9-oxo-1a,2,3,6,7,7aShow More⌵
Mol. Formula:
C19H27NO4
M.W.:
333.43
Type:
Small molecule
AlogP:
2.61
Polar Surface Area:
59.14
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4077129 Name:
(1aR,7aS,10aS,10bS,E)-5-((Benzyloxy)methyl)-1a-methyl-8-methylene-2,3,6,7,7Show More⌵
Mol. Formula:
C22H26O4
M.W.:
354.45
Type:
Small molecule
AlogP:
3.96
Polar Surface Area:
48.06
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4075902 Name:
(1aR,7aS,10aS,10bS,E)-N,N-dibutyl-1a-methyl-8-methylene-9-oxo-1a,2,3,6,7,7aShow More⌵
Mol. Formula:
C23H35NO4
M.W.:
389.54
Type:
Small molecule
AlogP:
4.17
Polar Surface Area:
59.14
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4073455 Name:
(1aR,7aS,10aS,10bS,E)-5-(benzo[d]thiazol-2-yl)-1a-methyl-8-methylene-2,3,6,Show More⌵
Mol. Formula:
C21H21NO3S
M.W.:
367.47
Type:
Small molecule
AlogP:
4.51
Polar Surface Area:
51.72
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4071266 Name:
(1aR,7aS,10aS,10bS,E)-N,N,1a-trimethyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8,9,Show More⌵
Mol. Formula:
C17H23NO4
M.W.:
305.37
Type:
Small molecule
AlogP:
1.83
Polar Surface Area:
59.14
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4070198 Name:
(1aR,7aS,10aS,10bS,E)-1a-Methyl-8-methylene-5-(4-methylpiperidine-1-carbonyShow More⌵
Mol. Formula:
C21H29NO4
M.W.:
359.47
Type:
Small molecule
AlogP:
3.00
Polar Surface Area:
59.14
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4068616 Name:
(1aR,7aS,10aS,10bS,E)-1a-Methyl-8-methylene-5-(((4-(trifluoromethyl)benzyl)Show More⌵
Mol. Formula:
C23H25F3O4
M.W.:
422.44
Type:
Small molecule
AlogP:
4.98
Polar Surface Area:
48.06
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4067122 Name:
(1aR,7aS,10aS,10bS,E)-1a-Methyl-8-methylene-9-oxo-N,N-dipropyl-1a,2,3,6,7,7Show More⌵
Mol. Formula:
C21H31NO4
M.W.:
361.48
Type:
Small molecule
AlogP:
3.39
Polar Surface Area:
59.14
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
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