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ALA4878683 Name:
Diethyl (4,9-dioxo-2-(3,4,5-trimethoxyphenyl)-4,9-
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Mol. Formula:
C24H24NO9P
M.W.:
501.43
Type:
Unknown
AlogP:
4.03
Polar Surface Area:
123.39
HBA:
10
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4878354 Name:
Diethyl (4,9-dioxo-2-(3,4,5-trimethoxyphenyl)-4,9-
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Mol. Formula:
C24H24NO9P
M.W.:
501.43
Type:
Unknown
AlogP:
4.03
Polar Surface Area:
123.39
HBA:
10
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4875287 Name:
Diethyl (2-(4-nitrophenyl)-4,9-dioxo-4,9-dihydrofu
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Mol. Formula:
C21H17N2O8P
M.W.:
456.35
Type:
Unknown
AlogP:
3.92
Polar Surface Area:
138.84
HBA:
9
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA4874926 Name:
Diethyl (2-(2-chlorophenyl)-4,9-dioxo-4,9-dihydrof
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Mol. Formula:
C21H17ClNO6P
M.W.:
445.80
Type:
Unknown
AlogP:
4.66
Polar Surface Area:
95.70
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4874138 Name:
Diethyl (2-(2-chlorophenyl)-4,9-dioxo-4,9-dihydrof
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Mol. Formula:
C21H17ClNO6P
M.W.:
445.80
Type:
Unknown
AlogP:
4.66
Polar Surface Area:
95.70
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4873161 Name:
Diethyl (2-(4-fluorophenyl)-4,9-dioxo-4,9-dihydrof
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Mol. Formula:
C21H17FNO6P
M.W.:
429.34
Type:
Unknown
AlogP:
4.15
Polar Surface Area:
95.70
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4870352 Name:
Taccachatrone D
Mol. Formula:
C29H40O9
M.W.:
532.63
Type:
Unknown
AlogP:
1.65
Polar Surface Area:
135.19
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4870171 Name:
N-(3-((1-(3,4-Dimethoxybenzyl)-1H-imidazo[4,5-c]py
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Mol. Formula:
C23H23N5O3
M.W.:
417.47
Type:
Unknown
AlogP:
4.20
Polar Surface Area:
90.30
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4868803 Name:
Taccalonolide AW
Mol. Formula:
C35H46O14
M.W.:
690.74
Type:
Unknown
AlogP:
0.90
Polar Surface Area:
201.56
HBA:
14
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA5287706 Name:
(1S,4aR,6R,6aR,9S,11aS,11bR,12R)-6,12-dihydroxy-4,
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Mol. Formula:
C23H34O5
M.W.:
390.52
Type:
---
AlogP:
3.03
Polar Surface Area:
83.83
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA5287361 Name:
1-(1-([1,1'-biphenyl]-4-carbonyl)piperidin-4-yl)-N
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Mol. Formula:
C21H21N5O3
M.W.:
391.43
Type:
---
AlogP:
2.54
Polar Surface Area:
100.35
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA5287273 Name:
Isorhizochalin
Mol. Formula:
C34H68N2O8
M.W.:
632.92
Type:
---
AlogP:
3.99
Polar Surface Area:
188.72
HBA:
10
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
28
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA5287133 Name:
(-)-herbertene-1,2-diol
Mol. Formula:
C15H22O2
M.W.:
234.34
Type:
---
AlogP:
3.87
Polar Surface Area:
40.46
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA5286857 Name:
Pegaharmaline B
Mol. Formula:
C24H18N4O2
M.W.:
394.43
Type:
---
AlogP:
4.38
Polar Surface Area:
72.80
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA5286648 Name:
2-((9,10-dihydroacridin-9-yl)methylene)-3-(dipheny
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Mol. Formula:
C29H23N3OS
M.W.:
461.59
Type:
---
AlogP:
7.05
Polar Surface Area:
35.58
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA5286621 Name:
N-hydroxy-3-(4-(N-(2-(trifluoromethyl)phenyl)sulfa
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Mol. Formula:
C16H13F3N2O4S
M.W.:
386.35
Type:
---
AlogP:
3.02
Polar Surface Area:
95.50
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA5286617 Name:
2-(3-chloropropyl)-6-nitro-1H-benzo[de]isoquinolin
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Mol. Formula:
C15H11ClN2O4
M.W.:
318.72
Type:
---
AlogP:
2.97
Polar Surface Area:
80.52
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA5286538 Name:
(1S,4aR,6R,6aR,9S,11aS,11bR,12R)-6,12-dihydroxy-4,
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Mol. Formula:
C22H32O5
M.W.:
376.49
Type:
---
AlogP:
2.64
Polar Surface Area:
83.83
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA5286527 Name:
Peganumine A
Mol. Formula:
C28H32N4O3
M.W.:
472.59
Type:
---
AlogP:
3.59
Polar Surface Area:
66.07
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA5286434 Name:
7-chloro-3-(phenylamino)benzo[e][1,2,4]triazine 1,
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Mol. Formula:
C13H9ClN4O2
M.W.:
288.69
Type:
---
AlogP:
1.90
Polar Surface Area:
78.80
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
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