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ALA5271592 Name:
(3R,5S,8R,9R,10S,13R,14R,17R)-8,10,13-trimethyl-17
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Mol. Formula:
C28H52ClN
M.W.:
438.18
Type:
---
AlogP:
7.83
Polar Surface Area:
26.02
HBA:
1
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA3627929 Name:
(2-Phenylbenzo[h]quinolin-4-yl)methanaminium chlor
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Mol. Formula:
C20H17ClN2
M.W.:
320.82
Type:
Small molecule
AlogP:
4.51
Polar Surface Area:
38.91
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA3627928 Name:
2-(Adamantan-1-yl)-6,8-dichloroquinolin-4-yl)metha
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Mol. Formula:
C20H21Cl2NO
M.W.:
362.30
Type:
Small molecule
AlogP:
5.50
Polar Surface Area:
33.12
HBA:
2
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA3627927 Name:
(2-Phenylbenzo[h]quinolin-4-yl)methanol
Mol. Formula:
C20H15NO
M.W.:
285.35
Type:
Small molecule
AlogP:
4.55
Polar Surface Area:
33.12
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA3627926 Name:
2-(Adamantan-1-yl)-6,8-dichloroquinoline-4-carboxy
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Mol. Formula:
C20H19Cl2NO2
M.W.:
376.28
Type:
Small molecule
AlogP:
5.71
Polar Surface Area:
50.19
HBA:
2
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA3627925 Name:
2-Phenylbenzo[h]quinoline-4-carboxylic acid
Cas Number:
5278-87-5
Mol. Formula:
C20H13NO2
M.W.:
299.33
Type:
Small molecule
AlogP:
4.75
Polar Surface Area:
50.19
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA1784529 Name:
(4aS,6aR,11aR,11bS)-4,4,6a,7,11b-pentamethyl-2,3,4
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Cas Number:
1000009-73-3
Mol. Formula:
C22H32O
M.W.:
312.50
Type:
Small molecule
AlogP:
5.76
Polar Surface Area:
20.23
HBA:
1
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA1784528 Name:
Turnagainolide B
Mol. Formula:
C30H44N4O6
M.W.:
556.70
Type:
Small molecule
AlogP:
2.33
Polar Surface Area:
142.70
HBA:
6
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA1784527 Name:
Turnagainolide A
Mol. Formula:
C30H44N4O6
M.W.:
556.70
Type:
Small molecule
AlogP:
2.33
Polar Surface Area:
142.70
HBA:
6
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
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