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ALA432621 Name:
(S)-2-(3-Benzoylamino-2,2-dimethyl-nonanoylamino)-
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Mol. Formula:
C29H40N2O4
M.W.:
480.65
Type:
Small molecule
AlogP:
5.07
Polar Surface Area:
84.50
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA109601 Name:
(S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-hepta
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Mol. Formula:
C28H35N3O4
M.W.:
477.61
Type:
Small molecule
AlogP:
4.16
Polar Surface Area:
108.29
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA445116 Name:
(S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-5-phe
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Mol. Formula:
C32H35N3O4
M.W.:
525.65
Type:
Small molecule
AlogP:
4.61
Polar Surface Area:
108.29
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA109236 Name:
(S)-2-(3-tert-Butoxycarbonylamino-2,2-dimethyl-non
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Mol. Formula:
C27H44N2O5
M.W.:
476.66
Type:
Small molecule
AlogP:
5.17
Polar Surface Area:
93.73
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA320510 Name:
(S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-penta
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Mol. Formula:
C36H51N3O4
M.W.:
589.82
Type:
Small molecule
AlogP:
7.28
Polar Surface Area:
108.29
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
20
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA109291 Name:
(S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-penta
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Mol. Formula:
C26H31N3O4
M.W.:
449.55
Type:
Small molecule
AlogP:
3.38
Polar Surface Area:
108.29
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA323480 Name:
(S)-2-{3-[(Furan-2-carbonyl)-amino]-2,2-dimethyl-n
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Mol. Formula:
C27H38N2O5
M.W.:
470.61
Type:
Small molecule
AlogP:
4.67
Polar Surface Area:
97.64
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA320132 Name:
(S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-nonan
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Mol. Formula:
C31H41N3O4
M.W.:
519.69
Type:
Small molecule
AlogP:
5.33
Polar Surface Area:
108.29
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA111705 Name:
(S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-nonan
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Mol. Formula:
C31H41N3O4
M.W.:
519.69
Type:
Small molecule
AlogP:
5.33
Polar Surface Area:
108.29
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA320750 Name:
(S)-2-[3-(4-Cyano-benzoylamino)-2,2,4-trimethyl-pe
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Mol. Formula:
C27H33N3O4
M.W.:
463.58
Type:
Small molecule
AlogP:
3.63
Polar Surface Area:
108.29
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA110995 Name:
(S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-nonan
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Mol. Formula:
C29H37N3O4
M.W.:
491.63
Type:
Small molecule
AlogP:
4.55
Polar Surface Area:
108.29
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA320712 Name:
(S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-nonan
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Mol. Formula:
C32H43N3O4
M.W.:
533.71
Type:
Small molecule
AlogP:
5.72
Polar Surface Area:
108.29
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA323355 Name:
(S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-nonan
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Mol. Formula:
C35H41N3O4
M.W.:
567.73
Type:
Small molecule
AlogP:
6.12
Polar Surface Area:
108.29
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA108294 Name:
(S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-nonan
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Mol. Formula:
C30H39N3O4
M.W.:
505.66
Type:
Small molecule
AlogP:
4.94
Polar Surface Area:
108.29
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA111745 Name:
(S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-undec
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Mol. Formula:
C32H43N3O4
M.W.:
533.71
Type:
Small molecule
AlogP:
5.72
Polar Surface Area:
108.29
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA108343 Name:
(S)-2-[3-(3,5-Dichloro-benzoylamino)-2,2-dimethyl-
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Mol. Formula:
C29H38Cl2N2O4
M.W.:
549.54
Type:
Small molecule
AlogP:
6.38
Polar Surface Area:
84.50
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA108931 Name:
(S)-2-[3-(3,5-Difluoro-benzoylamino)-2,2-dimethyl-
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Mol. Formula:
C29H38F2N2O4
M.W.:
516.63
Type:
Small molecule
AlogP:
5.35
Polar Surface Area:
84.50
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA13154 Name:
6-Chloromethyl-2-oxo-2H-chromene-3-carbothioic aci
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Mol. Formula:
C17H11ClO3S
M.W.:
330.79
Type:
Small molecule
AlogP:
4.46
Polar Surface Area:
47.28
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA13505 Name:
6-Chloromethyl-3-phenylacetyl-chromen-2-one
Mol. Formula:
C18H13ClO3
M.W.:
312.75
Type:
Small molecule
AlogP:
3.96
Polar Surface Area:
47.28
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA273630 Name:
3-Benzoyl-6-chloromethyl-chromen-2-one
Mol. Formula:
C17H11ClO3
M.W.:
298.73
Type:
Small molecule
AlogP:
3.76
Polar Surface Area:
47.28
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
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