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ALA1078128 Name:
(3S,6S,9S,12S,15S,18S,21S)-12-((1H-indol-3-yl)meth
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Mol. Formula:
C99H140N24O24
M.W.:
2050.35
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA1160252 Name:
4-[4-((S)-2-Carboxy-2-{[(S)-1-(3,5-dichloro-benzen
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Mol. Formula:
C28H28Cl2N4O6S2
M.W.:
651.59
Type:
Small molecule
AlogP:
4.72
Polar Surface Area:
145.77
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4798264 Name:
(S)-3-(2',6'-dimethoxybiphenyl-4-yl)-2-((S)-2-ethy
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Mol. Formula:
C29H32N2O7S
M.W.:
552.65
Type:
Unknown
AlogP:
3.73
Polar Surface Area:
122.24
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
Type:
Unknown
AlogP:
1.60
Polar Surface Area:
86.71
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA4585226 Name:
2-(4-Oxoazetidin-2-yl)acetyl)glycine
Mol. Formula:
C7H10N2O4
M.W.:
186.17
Type:
Unknown
AlogP:
-1.53
Polar Surface Area:
95.50
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4065916 Name:
2-(3-benzoylthioureido)-5,7-dihydro-4H-thieno[2,3-
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Mol. Formula:
C16H14N2O4S2
M.W.:
362.43
Type:
Small molecule
AlogP:
2.65
Polar Surface Area:
87.66
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA4447762 Name:
2-Oxo-N-(o-tolyl)azetidine-1-carboxamide
Mol. Formula:
C11H12N2O2
M.W.:
204.23
Type:
Unknown
AlogP:
1.76
Polar Surface Area:
49.41
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.71
DETAILS
CLOSE
ALA4446073 Name:
2-(4-oxoazetidin-2-ylidene)acetic acid
Mol. Formula:
C5H5NO3
M.W.:
127.10
Type:
Unknown
AlogP:
-0.53
Polar Surface Area:
66.40
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4442651 Name:
(o-Tolylcarbamoyl)-L-proline
Mol. Formula:
C13H16N2O3
M.W.:
248.28
Type:
Unknown
AlogP:
2.08
Polar Surface Area:
69.64
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA4105037 Name:
2-(3-benzoylureido)-5,5-dimethyl-5,7-dihydro-4H-th
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Mol. Formula:
C18H18N2O5S
M.W.:
374.42
Type:
Small molecule
AlogP:
3.26
Polar Surface Area:
104.73
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA3590533 Name:
(R)-3-(2-cyclohexyl-3-(4-(3-o-tolylureido)benzylca
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Mol. Formula:
C29H34N4O5
M.W.:
518.61
Type:
Small molecule
AlogP:
4.45
Polar Surface Area:
127.84
HBA:
4
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA3590532 Name:
(S)-3-(2-cyclohexyl-3-(4-(3-o-tolylureido)benzylca
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Mol. Formula:
C29H34N4O5
M.W.:
518.61
Type:
Small molecule
AlogP:
4.45
Polar Surface Area:
127.84
HBA:
4
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA3590531 Name:
(R)-3-(2-isopropyl-3-(4-(3-o-tolylureido)benzylcar
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Mol. Formula:
C26H30N4O5
M.W.:
478.55
Type:
Small molecule
AlogP:
3.52
Polar Surface Area:
127.84
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA3590530 Name:
(S)-3-(2-isopropyl-3-(4-(3-o-tolylureido)benzylcar
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Mol. Formula:
C26H30N4O5
M.W.:
478.55
Type:
Small molecule
AlogP:
3.52
Polar Surface Area:
127.84
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA3590529 Name:
(R)-3-(4-((2-isopropyl-1-(o-tolylcarbamoyl)-2,5-di
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Mol. Formula:
C26H30N4O5
M.W.:
478.55
Type:
Small molecule
AlogP:
3.52
Polar Surface Area:
127.84
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA3590528 Name:
(S)-3-(4-((2-isopropyl-1-(o-tolylcarbamoyl)-2,5-di
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Mol. Formula:
C26H30N4O5
M.W.:
478.55
Type:
Small molecule
AlogP:
3.52
Polar Surface Area:
127.84
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA3220782 Name:
3-[2-(2-tert-butoxy-2-oxoethoxy)-4-{[(4-{[(2,6-dim
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Mol. Formula:
C32H37N3O7
M.W.:
575.66
Type:
Small molecule
AlogP:
5.87
Polar Surface Area:
143.06
HBA:
6
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA3220781 Name:
3-[2-(2-tert-butoxy-2-oxoethoxy)-4-({[4-({[2-(trif
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Mol. Formula:
C31H32F3N3O7
M.W.:
615.61
Type:
Small molecule
AlogP:
6.27
Polar Surface Area:
143.06
HBA:
6
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA3220780 Name:
(2-[3-(benzyloxy)-3-oxopropyl]-5-{[(4-{[(2,6-dimet
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Mol. Formula:
C35H35N3O7
M.W.:
609.68
Type:
Small molecule
AlogP:
6.27
Polar Surface Area:
143.06
HBA:
6
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA3220779 Name:
{2-[3-(benzyloxy)-3-oxopropyl]-5-({[4-({[2-(triflu
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Mol. Formula:
C34H30F3N3O7
M.W.:
649.62
Type:
Small molecule
AlogP:
6.67
Polar Surface Area:
143.06
HBA:
6
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
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