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ALA5286261 Name:
2-(5-fluoro-2-((3-nitrobenzyl)carbamothioyl)phenox
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Mol. Formula:
C16H13FN2O5S
M.W.:
364.35
Type:
---
AlogP:
2.66
Polar Surface Area:
101.70
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA5284180 Name:
(Z)-3-(2-hydroxy-5-methylbenzylidene)indolin-2-one
Mol. Formula:
C16H13NO2
M.W.:
251.28
Type:
---
AlogP:
3.19
Polar Surface Area:
49.33
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA5281499 Name:
4-(3-hydroxy-5-methoxyphenethyl)benzene-1,2-diol
Mol. Formula:
C15H16O4
M.W.:
260.29
Type:
---
AlogP:
2.60
Polar Surface Area:
69.92
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA5280965 Name:
2-(5-chloro-2-((4-cyanobenzyl)carbamoyl)phenoxy)ac
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Mol. Formula:
C17H13ClN2O4
M.W.:
344.75
Type:
---
AlogP:
2.61
Polar Surface Area:
99.42
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA5279118 Name:
2-(5-methyl-2-oxo-5-{2-[(3,4,5-trimethoxyphenyl)me
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Mol. Formula:
C22H25NO8
M.W.:
431.44
Type:
---
AlogP:
3.04
Polar Surface Area:
103.76
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA5279085 Name:
2-(2-((4-amino-2-fluorobenzyl)carbamoyl)-5-chlorop
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Mol. Formula:
C16H14ClFN2O4
M.W.:
352.75
Type:
---
AlogP:
2.45
Polar Surface Area:
101.65
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA5290848 Name:
N-(2-fluoro-5-methylphenyl)-N-methyl-1-nitromethan
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Mol. Formula:
C9H11FN2O4S
M.W.:
262.26
Type:
---
AlogP:
1.13
Polar Surface Area:
80.52
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA5289568 Name:
2-(6-bromo-2-(4-methoxyphenyl)-2'-oxospiro[chroman
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Mol. Formula:
C20H18BrNO6
M.W.:
448.27
Type:
---
AlogP:
3.71
Polar Surface Area:
85.30
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA5289196 Name:
3-methoxy-5-(2-(naphthalen-1-yl)ethyl)phenol
Mol. Formula:
C19H18O2
M.W.:
278.35
Type:
---
AlogP:
4.34
Polar Surface Area:
29.46
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA5288802 Name:
7-bromo-5-nitro-4H-benzo[e][1,2,4]thiadiazine 1,1-
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Mol. Formula:
C7H4BrN3O4S
M.W.:
306.10
Type:
---
AlogP:
1.50
Polar Surface Area:
101.67
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA5288197 Name:
2-(5-chloro-2-((4-cyano-3-nitrobenzyl)carbamoyl)ph
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Mol. Formula:
C17H12ClN3O6
M.W.:
389.75
Type:
---
AlogP:
2.51
Polar Surface Area:
142.56
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4789697 Name:
(S)-2-(2-amino-4-oxo-3,4-dihydropteridine-7-carbox
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Mol. Formula:
C17H16N6O4
M.W.:
368.35
Type:
Unknown
AlogP:
0.11
Polar Surface Area:
163.95
HBA:
7
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4757375 Name:
(S)-2-(2-amino-4-oxo-3,4-dihydropteridine-7-carbox
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Mol. Formula:
C12H14N6O4
M.W.:
306.28
Type:
Unknown
AlogP:
-0.87
Polar Surface Area:
163.95
HBA:
7
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA4777280 Name:
2-(2-amino-4-oxo-3,4-dihydropteridine-7-carboxamid
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Mol. Formula:
C9H8N6O4
M.W.:
264.20
Type:
Unknown
AlogP:
-1.89
Polar Surface Area:
163.95
HBA:
7
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA5277236 Name:
4-(5-chloro-2-hydroxyphenethyl)benzene-1,2-diol
Mol. Formula:
C14H13ClO3
M.W.:
264.71
Type:
---
AlogP:
3.24
Polar Surface Area:
60.69
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA5276874 Name:
1-((5-chlorothiophen-2-yl)sulfonyl)-1,3-diazaspiro
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Mol. Formula:
C12H13ClN2O4S2
M.W.:
348.83
Type:
---
AlogP:
2.34
Polar Surface Area:
83.55
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA5276116 Name:
1,2-bis(3,5-dimethoxyphenyl)ethane
Mol. Formula:
C18H22O4
M.W.:
302.37
Type:
---
AlogP:
3.51
Polar Surface Area:
36.92
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA5275831 Name:
(4E)-3-amino-4-{[3-(4-chlorophenyl)-1-phenyl-1H-py
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Mol. Formula:
C20H15ClN6OS
M.W.:
422.90
Type:
---
AlogP:
2.93
Polar Surface Area:
102.53
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA5273049 Name:
(4-(5-((3-(3-fluorophenyl)-1-phenyl-1H-pyrazol-4-y
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Mol. Formula:
C28H19FN4O4S2
M.W.:
558.62
Type:
---
AlogP:
4.90
Polar Surface Area:
104.53
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA5271166 Name:
(4-(4-oxo-5-((1-phenyl-3-(m-tolyl)-1H-pyrazol-4-yl
Show More⌵
Mol. Formula:
C29H22N4O4S2
M.W.:
554.65
Type:
---
AlogP:
5.07
Polar Surface Area:
104.53
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
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