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ALA2311177 Name:
Phosphoric acid mono-[5-(4-amino-5-methyl-2-oxo-2H
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Mol. Formula:
C10H16N3O8P
M.W.:
337.23
Type:
Small molecule
AlogP:
-2.14
Polar Surface Area:
177.36
HBA:
9
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA1788170 Name:
1-Methyl-6-{methyl-[4-(piperazine-1-sulfonyl)-benz
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Mol. Formula:
C27H28N4O7S
M.W.:
552.61
Type:
Small molecule
AlogP:
2.64
Polar Surface Area:
81.75
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA1744235 Name:
(2-Imino-1,5-dimethyl-1,2-dihydro-benzo[cd]indol-6
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Mol. Formula:
C28H30N4O7S
M.W.:
566.64
Type:
Small molecule
AlogP:
3.16
Polar Surface Area:
88.23
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA1744234 Name:
Methyl-(1-methyl-2-methylimino-1,2-dihydro-benzo[c
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Mol. Formula:
C28H30N4O7S
M.W.:
566.64
Type:
Small molecule
AlogP:
3.11
Polar Surface Area:
74.24
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA477151 Name:
2,4-Diamino-5-isopropyl-6-(3',4'-dichlorophenylsul
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Mol. Formula:
C15H15Cl2N5S
M.W.:
368.29
Type:
Small molecule
AlogP:
4.70
Polar Surface Area:
93.61
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA477150 Name:
Diamino-5-isopropyl-6-(2'-naphthylsulfanyl)-7H-pyr
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Mol. Formula:
C19H19N5S
M.W.:
349.46
Type:
Small molecule
AlogP:
4.55
Polar Surface Area:
93.61
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
Type:
Small molecule
AlogP:
1.19
Polar Surface Area:
178.71
HBA:
7
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA196235 Name:
2-Amino-5-(3,5-dichloro-phenylsulfanyl)-6-methyl-3
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Mol. Formula:
C13H10Cl2N4OS
M.W.:
341.22
Type:
Small molecule
AlogP:
4.01
Polar Surface Area:
87.82
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA172085 Name:
6-{[(3-Bromo-phenyl)-prop-2-ynyl-amino]-methyl}-2-
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Mol. Formula:
C19H16BrN3O
M.W.:
382.26
Type:
Small molecule
AlogP:
4.05
Polar Surface Area:
49.25
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA172033 Name:
6-({Ethyl-[4-(2,2,2-trifluoro-acetyl)-phenyl]-amin
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Mol. Formula:
C20H18F3N3O2
M.W.:
389.38
Type:
Small molecule
AlogP:
4.42
Polar Surface Area:
66.32
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA177208 Name:
2-Methyl-6-{[prop-2-ynyl-(3-trifluoromethyl-phenyl
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Mol. Formula:
C20H16F3N3S
M.W.:
387.43
Type:
Small molecule
AlogP:
4.89
Polar Surface Area:
29.02
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA172474 Name:
6-{[(4-Benzyl-phenyl)-methyl-amino]-methyl}-2-meth
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Mol. Formula:
C24H23N3O
M.W.:
369.47
Type:
Small molecule
AlogP:
4.87
Polar Surface Area:
49.25
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA444870 Name:
4-[(2-Methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmeth
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Mol. Formula:
C21H15F3N4O
M.W.:
396.37
Type:
Small molecule
AlogP:
4.17
Polar Surface Area:
73.04
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA171180 Name:
2-Methyl-6-{[(4-nitro-3-trifluoromethyl-phenyl)-pr
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Mol. Formula:
C20H15F3N4O3
M.W.:
416.36
Type:
Small molecule
AlogP:
4.21
Polar Surface Area:
92.39
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA353951 Name:
2-Chloro-4-[(2-methyl-4-oxo-3,4-dihydro-quinazolin
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Mol. Formula:
C20H15ClN4O
M.W.:
362.82
Type:
Small molecule
AlogP:
3.81
Polar Surface Area:
73.04
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA170767 Name:
2-Methyl-6-[(prop-2-ynyl-m-tolyl-amino)-methyl]-3H
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Mol. Formula:
C20H19N3O
M.W.:
317.39
Type:
Small molecule
AlogP:
3.59
Polar Surface Area:
49.25
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA174478 Name:
4-[(2-Methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmeth
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Mol. Formula:
C20H16N4O
M.W.:
328.38
Type:
Small molecule
AlogP:
3.16
Polar Surface Area:
73.04
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA367651 Name:
2-Methyl-6-{[(4-nitro-phenyl)-prop-2-ynyl-amino]-m
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Mol. Formula:
C19H16N4O3
M.W.:
348.36
Type:
Small molecule
AlogP:
3.19
Polar Surface Area:
92.39
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA173683 Name:
4-[(2-Methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmeth
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Mol. Formula:
C19H18N4O3S
M.W.:
382.45
Type:
Small molecule
AlogP:
1.93
Polar Surface Area:
109.41
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA171641 Name:
2-Methyl-6-({[4-(4-methyl-piperazine-1-sulfonyl)-p
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Mol. Formula:
C24H27N5O3S
M.W.:
465.58
Type:
Small molecule
AlogP:
2.22
Polar Surface Area:
89.87
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
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