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ALA5281856 Name:
5-[[3-[[(1S)-2-[[(1S)-2-[[(1S,2S)-1-[[(1R)-2-[[(1S
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Mol. Formula:
C90H117N17O25S2
M.W.:
1901.15
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5277870 Name:
5-[[3-[[(1S)-2-[[(1S)-2-[[(1S,2S)-1-[[(1S)-1-[[(1S
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Mol. Formula:
C85H115N17O25S2
M.W.:
1839.08
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA3798088 Name:
N-((3R,6S,9S,12R)-6-ethyl-9-(3-guanidinopropyl)-12
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Cas Number:
1442106-10-6
Mol. Formula:
C29H46N8O5
M.W.:
586.74
Type:
Small molecule
AlogP:
0.32
Polar Surface Area:
207.40
HBA:
6
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA5283334 Name:
(2S)-1-[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[
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Mol. Formula:
C96H120N16O26S2
M.W.:
1978.24
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5283185 Name:
5-[[3-[[(1S)-2-[[(1S)-2-[[(1S,2S)-1-[[(1R)-2-[[(1S
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Mol. Formula:
C96H121N17O25S2
M.W.:
1977.25
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5277647 Name:
(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S
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Mol. Formula:
C93H148N22O31S2
M.W.:
2134.46
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5274392 Name:
(2S)-1-[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[
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Mol. Formula:
C97H122N16O26S2
M.W.:
1992.26
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5272698 Name:
5-[[3-[[(1S)-2-[[(1S)-2-[[(1S,2S)-1-[[(1R)-2-[[(1S
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Mol. Formula:
C95H119N17O25S2
M.W.:
1963.22
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5209861 Name:
4-phenyl-1-propanoyl-piperidine-4-carboxylic acid
Mol. Formula:
C15H19NO3
M.W.:
261.32
Type:
---
AlogP:
2.04
Polar Surface Area:
57.61
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
Y
QED Weighted:
0.91
DETAILS
CLOSE
ALA5206543 Name:
4-phenyl-1-prop-2-enoyl-N-(p-tolylsulfonyl)piperid
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Mol. Formula:
C22H24N2O4S
M.W.:
412.51
Type:
---
AlogP:
2.55
Polar Surface Area:
83.55
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA5201158 Name:
1-[4-(4-ethoxyphenyl)-4-(1H-tetrazol-5-yl)-1-piper
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Mol. Formula:
C17H21N5O2
M.W.:
327.39
Type:
---
AlogP:
1.69
Polar Surface Area:
84.00
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA5198555 Name:
N-(benzenesulfonyl)-4-phenyl-1-prop-2-enoyl-piperi
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Mol. Formula:
C21H22N2O4S
M.W.:
398.48
Type:
---
AlogP:
2.24
Polar Surface Area:
83.55
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA5198420 Name:
4-phenyl-1-prop-2-ynoyl-piperidine-4-carboxylic ac
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Mol. Formula:
C15H15NO3
M.W.:
257.29
Type:
---
AlogP:
1.26
Polar Surface Area:
57.61
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.81
DETAILS
CLOSE
ALA5194845 Name:
4-phenyl-1-prop-2-enoyl-piperidine-4-carboxylic ac
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Cas Number:
1271343-03-3
Mol. Formula:
C15H17NO3
M.W.:
259.31
Type:
---
AlogP:
1.82
Polar Surface Area:
57.61
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
Y
QED Weighted:
0.84
DETAILS
CLOSE
ALA5193964 Name:
4-(4-chlorophenyl)-1-prop-2-enoyl-piperidine-4-car
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Mol. Formula:
C15H16ClNO3
M.W.:
293.75
Type:
---
AlogP:
2.47
Polar Surface Area:
57.61
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
Y
QED Weighted:
0.87
DETAILS
CLOSE
ALA5191621 Name:
N-(4-methoxyphenyl)sulfonyl-4-phenyl-1-prop-2-enoy
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Mol. Formula:
C22H24N2O5S
M.W.:
428.51
Type:
---
AlogP:
2.25
Polar Surface Area:
92.78
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA5191371 Name:
ethyl 4-phenyl-1-prop-2-enoyl-piperidine-4-carboxy
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Mol. Formula:
C17H21NO3
M.W.:
287.36
Type:
---
AlogP:
2.30
Polar Surface Area:
46.61
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA5191178 Name:
1-hex-5-ynoyl-4-phenyl-piperidine-4-carboxylic aci
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Mol. Formula:
C18H21NO3
M.W.:
299.37
Type:
---
AlogP:
2.43
Polar Surface Area:
57.61
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA5190769 Name:
1-but-2-ynoyl-4-phenyl-piperidine-4-carboxylic aci
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Mol. Formula:
C16H17NO3
M.W.:
271.32
Type:
---
AlogP:
1.65
Polar Surface Area:
57.61
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.83
DETAILS
CLOSE
ALA5189434 Name:
4-(4-ethoxyphenyl)-1-prop-2-enoyl-piperidine-4-car
Show More⌵
Mol. Formula:
C17H21NO4
M.W.:
303.36
Type:
---
AlogP:
2.22
Polar Surface Area:
66.84
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
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