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ALA5268603 Name:
1-(3-((dimethylamino)methyl)-4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl)-2Show More⌵
Mol. Formula:
C24H29F3N2O3
M.W.:
450.50
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
3.55
Polar Surface Area:
53.01
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA5277977 Name:
(3S)-3-({2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamidoShow More⌵
Mol. Formula:
C38H52N8O10
M.W.:
780.88
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
-1.74
Polar Surface Area:
301.24
HBA:
10
HBD:
10
#RO5 Violations:
2
#Rotatable Bonds:
19
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA5205658 Name:
9-(4-((2-ethylbenzyl)oxy)phenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-Show More⌵
Mol. Formula:
C32H36O4
M.W.:
484.64
Type:
---
AlogP:
7.23
Polar Surface Area:
52.60
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA5203813 Name:
(5S)-5-amino-N-[2-[[(1S)-1-benzyl-2-[[(1S)-1-(dimethylcarbamoyl)-3-methyl-bShow More⌵
Mol. Formula:
C31H42FN5O5
M.W.:
583.71
Type:
---
AlogP:
1.97
Polar Surface Area:
153.86
HBA:
6
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA5200037 Name:
3,3,6,6-tetramethyl-9-(5-((2-methylbenzyl)oxy)pyridin-2-yl)-3,4,5,6,7,9-hexShow More⌵
Mol. Formula:
C30H33NO4
M.W.:
471.60
Type:
---
AlogP:
6.37
Polar Surface Area:
65.49
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA5198168 Name:
(5S)-5-amino-N-[2-[[(1S)-1-benzyl-2-[[(1S)-1-(ethylcarbamoyl)-3-methyl-butyShow More⌵
Mol. Formula:
C31H42FN5O5
M.W.:
583.71
Type:
---
AlogP:
2.02
Polar Surface Area:
162.65
HBA:
6
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA5195022 Name:
9-(4-((2-ethynylbenzyl)oxy)phenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydrShow More⌵
Mol. Formula:
C32H32O4
M.W.:
480.60
Type:
---
AlogP:
6.65
Polar Surface Area:
52.60
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA5192115 Name:
(5S)-5-amino-N-[2-[[(1S)-1-benzyl-2-[[(1S)-1-carbamoyl-3-methyl-butyl]aminoShow More⌵
Mol. Formula:
C29H38FN5O5
M.W.:
555.65
Type:
---
AlogP:
1.37
Polar Surface Area:
176.64
HBA:
6
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA5191793 Name:
9-(3-fluoro-4-((2-methylbenzyl)oxy)phenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-Show More⌵
Mol. Formula:
C31H33FO4
M.W.:
488.60
Type:
---
AlogP:
7.11
Polar Surface Area:
52.60
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA5191568 Name:
9-(4-((2-cyclopropylbenzyl)oxy)phenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexaShow More⌵
Mol. Formula:
C33H36O4
M.W.:
496.65
Type:
---
AlogP:
7.54
Polar Surface Area:
52.60
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA5190988 Name:
9-(4-(cyclohexylmethoxy)phenyl)-3,6-dimethyl-3,4,5,6,7,9-hexahydro-1H-xanthShow More⌵
Mol. Formula:
C28H34O4
M.W.:
434.58
Type:
---
AlogP:
6.27
Polar Surface Area:
52.60
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA5189216 Name:
9-(4-(cyclopentylmethoxy)phenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-Show More⌵
Mol. Formula:
C29H36O4
M.W.:
448.60
Type:
---
AlogP:
6.66
Polar Surface Area:
52.60
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA5184328 Name:
9-(4-(cyclobutylmethoxy)phenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1Show More⌵
Mol. Formula:
C28H34O4
M.W.:
434.58
Type:
---
AlogP:
6.27
Polar Surface Area:
52.60
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA5182141 Name:
9-(4-((2-isopropylbenzyl)oxy)phenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahyShow More⌵
Mol. Formula:
C33H38O4
M.W.:
498.66
Type:
---
AlogP:
7.79
Polar Surface Area:
52.60
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA5177001 Name:
(5S)-5-amino-N-[2-[[(1S)-1-benzyl-2-oxo-2-[4-(N-propanoylanilino)-1-piperidShow More⌵
Mol. Formula:
C37H44FN5O5
M.W.:
657.79
Type:
---
AlogP:
3.78
Polar Surface Area:
145.07
HBA:
6
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA5173456 Name:
(5S)-5-amino-N-[2-[[(1S)-1-benzyl-2-[[(1S)-3-methyl-1-(methylcarbamoyl)butyShow More⌵
Mol. Formula:
C30H40FN5O5
M.W.:
569.68
Type:
---
AlogP:
1.63
Polar Surface Area:
162.65
HBA:
6
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA5172639 Name:
(5S)-5-amino-N-[2-[[(1S)-1-benzyl-2-[[(1S)-1-(cyclopropylcarbamoyl)-3-methyShow More⌵
Mol. Formula:
C32H42FN5O5
M.W.:
595.72
Type:
---
AlogP:
2.16
Polar Surface Area:
162.65
HBA:
6
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA5171947 Name:
3-((4aR,12aS)-2-methyl-1,2,3,4,4a,5,12,12a-octahydropyrido[3,4-b]acridin-4aShow More⌵
Mol. Formula:
C23H24N2O
M.W.:
344.46
Type:
---
AlogP:
3.93
Polar Surface Area:
36.36
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA4865995 Name:
Speciociliatine N(4)-oxide
Mol. Formula:
C23H30N2O5
M.W.:
414.50
Type:
Unknown
AlogP:
3.84
Polar Surface Area:
83.61
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4864537 Name:
Mitragynine oxindole B
Mol. Formula:
C23H30N2O5
M.W.:
414.50
Type:
Unknown
AlogP:
2.71
Polar Surface Area:
77.10
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
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