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ALA5190333 Name:
(3S,8R,9S,10R,13S,14S)-17-(1H-benzo[d]imidazol-1-yl)-16-formyl-10,13-dimethShow More⌵
Mol. Formula:
C31H36N2O3
M.W.:
484.64
Type:
---
AlogP:
6.34
Polar Surface Area:
61.19
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA3350360 Name:
1,4a,6a-Trimethyl-2-oxo-hexadecahydro-indeno[5,4-f]quinoline-7-carboxylic aShow More⌵
Mol. Formula:
C24H40N2O2
M.W.:
388.60
Type:
Small molecule
AlogP:
4.33
Polar Surface Area:
40.62
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA3342906 Name:
(3S,8R,9S,10R,13S,14S)-16-formyl-17-(1H-imidazol-1-yl)-10,13-dimethyl-2,3,4Show More⌵
Mol. Formula:
C25H32N2O3
M.W.:
408.54
Type:
Small molecule
AlogP:
4.80
Polar Surface Area:
61.19
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA3342905 Name:
16-Formyl-17-(1H-imidazole-1-yl)androsta-5,16-dien-3beta-yl-4'-iodobenzoate
Mol. Formula:
C30H33IN2O3
M.W.:
596.51
Type:
Small molecule
AlogP:
6.70
Polar Surface Area:
61.19
HBA:
5
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA3342904 Name:
16-Formyl-17-(1H-imidazole-1-yl)androsta-5,16-dien-3beta-yl-4'-bromobenzoatShow More⌵
Mol. Formula:
C30H33BrN2O3
M.W.:
549.51
Type:
Small molecule
AlogP:
6.85
Polar Surface Area:
61.19
HBA:
5
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA3342903 Name:
16-Formyl-17-(1H-imidazole-1-yl)androsta-5,16-dien-3beta-yl-4'-chlorobenzoaShow More⌵
Mol. Formula:
C30H33ClN2O3
M.W.:
505.06
Type:
Small molecule
AlogP:
6.74
Polar Surface Area:
61.19
HBA:
5
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA3342902 Name:
16-Formyl-17-(1H-imidazole-1-yl)androsta-5,16-dien-3beta-yl-4'-fluorobenzoaShow More⌵
Mol. Formula:
C30H33FN2O3
M.W.:
488.60
Type:
Small molecule
AlogP:
6.23
Polar Surface Area:
61.19
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA3342901 Name:
16-Formyl-17-(1H-imidazole-1-yl)androsta-5,16-dien-3beta-yl-cycloheptancarbShow More⌵
Mol. Formula:
C31H42N2O3
M.W.:
490.69
Type:
Small molecule
AlogP:
6.75
Polar Surface Area:
61.19
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA3342900 Name:
16-Formyl-17-(1H-imidazole-1-yl)androsta-5,16-dien-3beta-yl-cyclohexancarboShow More⌵
Mol. Formula:
C30H40N2O3
M.W.:
476.66
Type:
Small molecule
AlogP:
6.36
Polar Surface Area:
61.19
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA3342899 Name:
16-Formyl-17-(1H-imidazole-1-yl)androsta-5,16-dien-3beta-yl-cyclopentancarbShow More⌵
Mol. Formula:
C29H38N2O3
M.W.:
462.63
Type:
Small molecule
AlogP:
5.97
Polar Surface Area:
61.19
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA3342898 Name:
16-Formyl-17-(1H-imidazole-1-yl)androsta-5,16-dien-3beta-yl-cyclobutancarboShow More⌵
Mol. Formula:
C28H36N2O3
M.W.:
448.61
Type:
Small molecule
AlogP:
5.58
Polar Surface Area:
61.19
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA3342897 Name:
16-Formyl-17-(1H-imidazole-1-yl)androsta-5,16-dien-3beta-yl-cyclopropancarbShow More⌵
Mol. Formula:
C27H34N2O3
M.W.:
434.58
Type:
Small molecule
AlogP:
5.19
Polar Surface Area:
61.19
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
(3S,8R,9S,10R,13S,14S)-17-chloro-16-formyl-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate Name:
(3S,8R,9S,10R,13S,14S)-17-chloro-16-formyl-10,13-dimethyl-2,3,4,7,8,9,10,11Show More⌵
Mol. Formula:
C22H29ClO3
M.W.:
376.92
Type:
Small molecule
AlogP:
5.18
Polar Surface Area:
43.37
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA3342895 Name:
16-Formyl-17-chloroandrosta-5,16-diene-3beta-yl-cycloheptancarboxylate
Mol. Formula:
C28H39ClO3
M.W.:
459.07
Type:
Small molecule
AlogP:
7.13
Polar Surface Area:
43.37
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA3342894 Name:
16-Formyl-17-chloroandrosta-5,16-diene-3beta-yl-cyclohexancarboxylate
Mol. Formula:
C27H37ClO3
M.W.:
445.04
Type:
Small molecule
AlogP:
6.74
Polar Surface Area:
43.37
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA3342893 Name:
16-Formyl-17-chloroandrosta-5,16-diene-3beta-yl-cyclopentancarboxylate
Mol. Formula:
C26H35ClO3
M.W.:
431.02
Type:
Small molecule
AlogP:
6.35
Polar Surface Area:
43.37
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA3342892 Name:
16-Formyl-17-chloroandrosta-5,16-diene-3beta-yl-cyclobutancarboxylate
Mol. Formula:
C25H33ClO3
M.W.:
416.99
Type:
Small molecule
AlogP:
5.96
Polar Surface Area:
43.37
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA3342891 Name:
16-Formyl-17-chloroandrosta-5,16-diene-3beta-yl-cyclopropancarboxylate
Mol. Formula:
C24H31ClO3
M.W.:
402.96
Type:
Small molecule
AlogP:
5.57
Polar Surface Area:
43.37
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA3309454 Name:
(E,E)-8-Hydroxygermacrene B
Mol. Formula:
C12H20O
M.W.:
180.29
Type:
Small molecule
AlogP:
3.20
Polar Surface Area:
20.23
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA3309453 Name:
Germacrone
Mol. Formula:
C15H22O
M.W.:
218.34
Type:
Small molecule
AlogP:
4.36
Polar Surface Area:
17.07
HBA:
1
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
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