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ALA5283768 Name:
1-(8-methoxy-2-methyl-1,2,3,4-tetrahydro-5H-pyrido
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Mol. Formula:
C28H29N3O2S
M.W.:
471.63
Type:
---
AlogP:
5.30
Polar Surface Area:
40.87
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA5278371 Name:
1-(2-ethyl-8-fluoro-1,2,3,4-tetrahydro-5H-pyrido[4
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Mol. Formula:
C28H33ClFN3O
M.W.:
482.04
Type:
---
AlogP:
5.05
Polar Surface Area:
33.33
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4868050 Name:
5,7-dibromo-1H,2H,3H-cyclopenta[b]quinolin-9-amine
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Mol. Formula:
C12H11Br2ClN2
M.W.:
378.50
Type:
Unknown
AlogP:
3.83
Polar Surface Area:
38.91
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA5289632 Name:
1-(2-ethyl-1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indo
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Mol. Formula:
C28H34ClN3O
M.W.:
464.05
Type:
---
AlogP:
4.91
Polar Surface Area:
33.33
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA5288465 Name:
2-(4-(4-benzylpiperazin-1-yl)butyl)-4,4a,5,6-tetra
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Mol. Formula:
C25H32N4OS
M.W.:
436.63
Type:
---
AlogP:
3.84
Polar Surface Area:
39.15
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4858546 Name:
3-hydroxy-2-((1R,6R)-3-methyl-6-(prop-1-en-2-yl)cy
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Mol. Formula:
C30H38BrNO3
M.W.:
540.54
Type:
Unknown
AlogP:
8.53
Polar Surface Area:
49.77
HBA:
3
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4791286 Name:
2-(2-(cyclopropanecarboxamido)pyridin-4-yl)-N-meth
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Mol. Formula:
C31H30N8O3S
M.W.:
594.70
Type:
Unknown
AlogP:
4.54
Polar Surface Area:
136.81
HBA:
10
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4790897 Name:
(S)-2-Butylamino-3-(1H-indol-3-yl)-N-[2-(1-phenyl-
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Mol. Formula:
C28H38N4O
M.W.:
446.64
Type:
Unknown
AlogP:
4.89
Polar Surface Area:
60.16
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4790886 Name:
(S)-2-Butylamino-N-(2-cycloheptyl-ethyl)-3-(1H-ind
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Mol. Formula:
C24H37N3O
M.W.:
383.58
Type:
Unknown
AlogP:
4.95
Polar Surface Area:
56.92
HBA:
2
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA2297278 Name:
2-(5-(3,7-dimethylocta-2,6-dienyl)-2-hydroxy-4-met
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Mol. Formula:
C26H28O6
M.W.:
436.50
Type:
Small molecule
AlogP:
5.82
Polar Surface Area:
100.13
HBA:
6
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA2297277 Name:
5'-geranyl-5,7,2',4'-tetrahydroxyflavone
Cas Number:
1221762-70-4
Mol. Formula:
C25H26O6
M.W.:
422.48
Type:
Small molecule
AlogP:
5.52
Polar Surface Area:
111.13
HBA:
6
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA2297276 Name:
kuwanonU
Mol. Formula:
C26H30O6
M.W.:
438.52
Type:
Small molecule
AlogP:
5.75
Polar Surface Area:
96.22
HBA:
6
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4548238 Name:
(-)-3-Oxoelaeocarpine
Mol. Formula:
C16H17NO3
M.W.:
271.32
Type:
Unknown
AlogP:
1.95
Polar Surface Area:
46.61
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.72
DETAILS
CLOSE
ALA4550657 Name:
4'-hydroxyisolonchocarpin
Mol. Formula:
C20H18O4
M.W.:
322.36
Type:
Unknown
AlogP:
4.28
Polar Surface Area:
55.76
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
ALA4777926 Name:
2-(2-(cyclopropanecarboxamido)pyridin-4-yl)-N-meth
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Mol. Formula:
C32H32N8O4S
M.W.:
624.73
Type:
Unknown
AlogP:
4.52
Polar Surface Area:
146.04
HBA:
11
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA4777788 Name:
2-(2-(2-((2-((6-chloro-1,2,3,4-tetrahydroacridin-9
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Mol. Formula:
C31H34ClN7O3S
M.W.:
620.18
Type:
Unknown
AlogP:
5.07
Polar Surface Area:
130.16
HBA:
9
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA4776346 Name:
(S)-1-(4-Benzyl-piperidin-1-yl)-2-dibutylamino-3-(
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Mol. Formula:
C31H43N3O
M.W.:
473.71
Type:
Unknown
AlogP:
6.46
Polar Surface Area:
39.34
HBA:
2
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4541155 Name:
1-((4-(benzoxazole-2-yl)phenyl)amino)-3-((4-isopro
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Mol. Formula:
C25H27N3O2
M.W.:
401.51
Type:
Unknown
AlogP:
5.50
Polar Surface Area:
70.32
HBA:
5
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA5277140 Name:
1-(2-methyl-1,2,3,4-tetrahydro-5H-pyrido[4,3-b]ind
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Mol. Formula:
C27H32ClN3O
M.W.:
450.03
Type:
---
AlogP:
4.52
Polar Surface Area:
33.33
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA5271548 Name:
1-(2-ethyl-8-methyl-1,2,3,4-tetrahydro-5H-pyrido[4
Show More⌵
Mol. Formula:
C29H36ClN3O
M.W.:
478.08
Type:
---
AlogP:
5.22
Polar Surface Area:
33.33
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
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