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ALA5287844 Name:
1-[3-(2-carbamimidoylsulfanylethoxy)-4-chloro-1-oxo-isochromen-7-yl]-3-phenShow More⌵
Mol. Formula:
C19H18BrClN4O4S
M.W.:
513.80
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Type:
---
AlogP:
4.10
Polar Surface Area:
130.44
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4570979 Name:
[(3S)-3-acetamido-4-[[2-[[(1S)-2-[[(1S)-2-[[4-(2-amino-2-oxo-ethyl)-2-oxo-cShow More⌵
Mol. Formula:
C46H49Cl2N9O10S
M.W.:
990.92
Type:
Unknown
AlogP:
2.79
Polar Surface Area:
312.99
HBA:
11
HBD:
9
#RO5 Violations:
3
#Rotatable Bonds:
22
Passes Ro3:
N
QED Weighted:
0.02
DETAILS
CLOSE
ALA4565659 Name:
[(3S)-3-acetamido-4-[[2-[(2S)-2-[[(1S)-1-[[4-(2-amino-2-oxo-ethyl)-2-oxo-chShow More⌵
Mol. Formula:
C38H49N9O10S
M.W.:
823.93
Type:
Unknown
AlogP:
-0.92
Polar Surface Area:
304.20
HBA:
11
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
20
Passes Ro3:
N
QED Weighted:
0.02
DETAILS
CLOSE
ALA4535588 Name:
[(3S)-3-acetamido-4-[[2-[[(1S)-2-[[(1S)-2-[[4-(2-amino-2-oxo-ethyl)-2-oxo-cShow More⌵
Mol. Formula:
C39H44FN9O9S
M.W.:
833.90
Type:
Unknown
AlogP:
0.05
Polar Surface Area:
303.76
HBA:
10
HBD:
9
#RO5 Violations:
2
#Rotatable Bonds:
19
Passes Ro3:
N
QED Weighted:
0.03
DETAILS
CLOSE
ALA4531056 Name:
(2S)-1-[2-[[(2S,3S)-2-acetamido-3-methylpentanoyl]amino]acetyl]-N-[(1S)-1-[Show More⌵
Mol. Formula:
C32H45N9O8
M.W.:
683.77
Type:
Unknown
AlogP:
-0.83
Polar Surface Area:
271.91
HBA:
9
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA4525826 Name:
methyl 4-[(3S)-3-[[2-[(2S)-2-[(1-diphenoxyphosphoryl-4-guanidinobutyl)carbaShow More⌵
Mol. Formula:
C43H54N7O9P
M.W.:
843.92
Type:
Unknown
AlogP:
4.23
Polar Surface Area:
222.55
HBA:
10
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.04
DETAILS
CLOSE
ALA4524384 Name:
(3S)-2-acetyl-N-[2-[(2S)-2-[[(1S)-1-[[4-(2-amino-2-oxoethyl)-2-oxochromen-7Show More⌵
Mol. Formula:
C40H49N9O8
M.W.:
783.89
Type:
Unknown
AlogP:
0.76
Polar Surface Area:
263.12
HBA:
9
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA4471598 Name:
(3S)-2-acetyl-N-[(1S)-1-[(2S)-2-[[(1S)-2-[[4-(2-amino-2-oxo-ethyl)-2-oxo-chShow More⌵
Mol. Formula:
C53H56N10O8S
M.W.:
993.16
Type:
Unknown
AlogP:
4.65
Polar Surface Area:
276.01
HBA:
11
HBD:
7
#RO5 Violations:
3
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.04
DETAILS
CLOSE
ALA4469669 Name:
[(3S)-3-acetamido-4-[[2-[[(1S)-2-[[(1S)-1-[[4-(2-amino-2-oxo-ethyl)-2-oxo-cShow More⌵
Mol. Formula:
C42H49Cl2N9O10S
M.W.:
942.88
Type:
Unknown
AlogP:
1.51
Polar Surface Area:
312.99
HBA:
11
HBD:
9
#RO5 Violations:
3
#Rotatable Bonds:
23
Passes Ro3:
N
QED Weighted:
0.02
DETAILS
CLOSE
ALA4461341 Name:
(3S)-2-acetyl-N-[1-[(2S)-2-[[(1S)-1-[[4-(2-amino-2-oxo-ethyl)-2-oxo-chromenShow More⌵
Mol. Formula:
C49H56N10O8S
M.W.:
945.12
Type:
Unknown
AlogP:
3.37
Polar Surface Area:
276.01
HBA:
11
HBD:
7
#RO5 Violations:
3
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.03
DETAILS
CLOSE
ALA4461274 Name:
(3S)-2-acetyl-N-[2-[(2S)-2-[[(1S)-2-[[4-(2-amino-2-oxo-ethyl)-2-oxo-chromenShow More⌵
Mol. Formula:
C44H49N9O8
M.W.:
831.93
Type:
Unknown
AlogP:
2.04
Polar Surface Area:
263.12
HBA:
9
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA4456174 Name:
(3S)-2-[6-[6-[3,3-dimethyl-2-[5-(1,3,3-trimethylindolin-2-ylidene)penta-1,3Show More⌵
Mol. Formula:
C76H97N10O8P
M.W.:
1309.65
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4455315 Name:
(2S)-1-[2-[[(2S,3S)-2-acetamido-3-methylpentanoyl]amino]acetyl]-N-[(1S)-1-[Show More⌵
Mol. Formula:
C36H51N9O8
M.W.:
737.86
Type:
Unknown
AlogP:
0.33
Polar Surface Area:
271.91
HBA:
9
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA4449781 Name:
(2S)-1-[2-[[(2S,3S)-2-acetamido-3-methyl-pentanoyl]amino]acetyl]-N-[(1S)-2-Show More⌵
Mol. Formula:
C40H51N9O8
M.W.:
785.90
Type:
Unknown
AlogP:
1.62
Polar Surface Area:
271.91
HBA:
9
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA4439700 Name:
[(3S)-3-acetamido-4-[[2-[(2S)-2-[[(1S)-2-[[4-(2-amino-2-oxo-ethyl)-2-oxo-chShow More⌵
Mol. Formula:
C42H49N9O10S
M.W.:
871.97
Type:
Unknown
AlogP:
0.37
Polar Surface Area:
304.20
HBA:
11
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
19
Passes Ro3:
N
QED Weighted:
0.03
DETAILS
CLOSE
ALA4436203 Name:
[(3S)-3-acetamido-4-[[2-[[(1S)-2-[[(1S)-1-[[4-(2-amino-2-oxo-ethyl)-2-oxo-cShow More⌵
Mol. Formula:
C35H44FN9O9S
M.W.:
785.86
Type:
Unknown
AlogP:
-1.24
Polar Surface Area:
303.76
HBA:
10
HBD:
9
#RO5 Violations:
2
#Rotatable Bonds:
20
Passes Ro3:
N
QED Weighted:
0.02
DETAILS
CLOSE
ALA1160469 Name:
C-Amino-C-[4-((diphenoxy-phosphoryl)-{[1-(3-phenyl-propionyl)-pyrrolidine-2Show More⌵
Mol. Formula:
C34H35N4O5P
M.W.:
610.65
Type:
Small molecule
AlogP:
6.06
Polar Surface Area:
134.81
HBA:
6
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA1160468 Name:
C-Amino-C-[4-((diphenoxy-phosphoryl)-{[1-(3,3-diphenyl-propionyl)-pyrrolidiShow More⌵
Mol. Formula:
C40H39N4O5P
M.W.:
686.75
Type:
Small molecule
AlogP:
7.65
Polar Surface Area:
134.81
HBA:
6
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA1160461 Name:
N-[(4-Carbamimidoyl-phenyl)-(diphenoxy-phosphoryl)-methyl]-succinamic acid
Mol. Formula:
C24H24N3O6P
M.W.:
481.45
Type:
Small molecule
AlogP:
4.30
Polar Surface Area:
151.80
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA1160459 Name:
[(4-Carbamimidoyl-phenyl)-(3-phenyl-acryloylamino)-methyl]-phosphonic acid Show More⌵
Mol. Formula:
C29H26N3O4P
M.W.:
511.52
Type:
Small molecule
AlogP:
6.15
Polar Surface Area:
114.50
HBA:
5
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
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