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ALA138909 Name:
6-Methoxy-1,1,4,4-tetramethyl-isochroman-7-carboxy
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Mol. Formula:
C24H28O6
M.W.:
412.48
Type:
Small molecule
AlogP:
4.63
Polar Surface Area:
71.06
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA136640 Name:
Terephthalic acid 1-methyl ester 4-(2,4,4,5,7-pent
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Mol. Formula:
C23H24O5
M.W.:
380.44
Type:
Small molecule
AlogP:
4.88
Polar Surface Area:
61.83
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA138844 Name:
4-[(4,4-Dimethyl-chroman-6-carbonyl)-methoxy-amino
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Mol. Formula:
C21H23NO5
M.W.:
369.42
Type:
Small molecule
AlogP:
3.74
Polar Surface Area:
65.07
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA139536 Name:
N-(2,2,4,4-Tetramethyl-thiochroman-6-yl)-terephtha
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Mol. Formula:
C22H25NO3S
M.W.:
383.51
Type:
Small molecule
AlogP:
5.28
Polar Surface Area:
55.40
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA341704 Name:
4-iminomethylphenyl 4,4-dimethyl-6-chromanecarboxy
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Mol. Formula:
C20H21N3O3S
M.W.:
383.47
Type:
Small molecule
AlogP:
3.54
Polar Surface Area:
86.27
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA138881 Name:
Terephthalic acid 1-(2,2,4,4,5,7-hexamethyl-chroma
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Mol. Formula:
C24H28O5
M.W.:
396.48
Type:
Small molecule
AlogP:
5.15
Polar Surface Area:
61.83
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA139960 Name:
(2E,4E,6E)-7-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-3
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Mol. Formula:
C19H22O4
M.W.:
314.38
Type:
Small molecule
AlogP:
3.93
Polar Surface Area:
44.76
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA139100 Name:
3-Methoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-n
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Mol. Formula:
C25H30O5
M.W.:
410.51
Type:
Small molecule
AlogP:
5.44
Polar Surface Area:
61.83
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA120210 Name:
1-Isopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-quinol
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Mol. Formula:
C24H29NO4
M.W.:
395.50
Type:
Small molecule
AlogP:
4.98
Polar Surface Area:
55.84
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA331642 Name:
1,4,4,7-Tetramethyl-1,2,3,4-tetrahydro-quinoline-6
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Mol. Formula:
C23H27NO4
M.W.:
381.47
Type:
Small molecule
AlogP:
4.51
Polar Surface Area:
55.84
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA120980 Name:
4-[(E)-2-(2-Octyl-thiochroman-6-yl)-propenyl]-benz
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Mol. Formula:
C29H38O2S
M.W.:
450.69
Type:
Small molecule
AlogP:
8.58
Polar Surface Area:
26.30
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA122529 Name:
4,4-Dimethyl-chroman-6-carboxylic acid 4-ethoxycar
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Mol. Formula:
C21H22O5
M.W.:
354.40
Type:
Small molecule
AlogP:
4.14
Polar Surface Area:
61.83
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA422607 Name:
1,4,4-Trimethyl-1,2,3,4-tetrahydro-quinoline-6-car
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Mol. Formula:
C22H25NO4
M.W.:
367.45
Type:
Small molecule
AlogP:
4.20
Polar Surface Area:
55.84
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
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