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ALA4875696 Name:
(3S,6S,9S,12S,15S,16S)-3-amino-15-((S)-3-((S)-2-((
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Mol. Formula:
C54H73N11O13
M.W.:
1084.24
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4873899 Name:
(S)-2-((S)-1-((S)-2-((6S,9S,12S,15S,16S)-1,6-diami
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Mol. Formula:
C50H68N10O10
M.W.:
969.15
Type:
Unknown
AlogP:
1.14
Polar Surface Area:
322.70
HBA:
11
HBD:
11
#RO5 Violations:
3
#Rotatable Bonds:
22
Passes Ro3:
N
QED Weighted:
0.04
DETAILS
CLOSE
ALA4873167 Name:
(3S,6S,9S,12S,15S,16S)-3-amino-15-((S)-3-((S)-2-((
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Mol. Formula:
C54H73N11O13
M.W.:
1084.24
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4872735 Name:
NA
Mol. Formula:
C53H73N11O9
M.W.:
1008.23
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5283862 Name:
1-benzoyl-2-(hydroxymethyl)-1H-indole-3-carboxylic
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Mol. Formula:
C17H13NO4
M.W.:
295.29
Type:
---
AlogP:
2.52
Polar Surface Area:
79.53
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA5282200 Name:
2-(hydroxymethyl)-1-(4-methylbenzenesulfonyl)-1H-i
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Mol. Formula:
C17H15NO5S
M.W.:
345.38
Type:
---
AlogP:
2.38
Polar Surface Area:
96.60
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA5289070 Name:
2-(hydroxymethyl)-1-methanesulfonyl-1H-indole-3-ca
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Mol. Formula:
C11H11NO5S
M.W.:
269.28
Type:
---
AlogP:
0.64
Polar Surface Area:
96.60
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
ALA5287876 Name:
2-butyl-1-methanesulfonyl-1H-indole-3-carboxylic a
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Mol. Formula:
C14H17NO4S
M.W.:
295.36
Type:
---
AlogP:
2.49
Polar Surface Area:
76.37
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.92
DETAILS
CLOSE
ALA4861538 Name:
NA
Mol. Formula:
C49H65N11O9
M.W.:
952.13
Type:
Unknown
AlogP:
1.04
Polar Surface Area:
327.05
HBA:
10
HBD:
12
#RO5 Violations:
2
#Rotatable Bonds:
23
Passes Ro3:
N
QED Weighted:
0.03
DETAILS
CLOSE
ALA3735804 Name:
(R)-4'-[[4-methyl-6-((2-phenylpropyl)carbamoyl)-2-
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Mol. Formula:
C35H35N3O3S
M.W.:
577.75
Type:
Small molecule
AlogP:
7.79
Polar Surface Area:
84.22
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA3734763 Name:
(S)-4'-[[4-methyl-6-((2-phenylpropyl)carbamoyl)-2-
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Mol. Formula:
C35H35N3O3S
M.W.:
577.75
Type:
Small molecule
AlogP:
7.79
Polar Surface Area:
84.22
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA3735558 Name:
(R)-N-(2-phenylpropyl)-1-[2'-(1H-tetrazol-5-yl)-1,
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Mol. Formula:
C34H33N7OS
M.W.:
587.75
Type:
Small molecule
AlogP:
6.89
Polar Surface Area:
101.38
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA3735227 Name:
(S)-N-(2-phenylpropyl)-1-[2'-(1H-tetrazol-5-yl)-1,
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Mol. Formula:
C34H33N7OS
M.W.:
587.75
Type:
Small molecule
AlogP:
6.89
Polar Surface Area:
101.38
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA3736202 Name:
(R)-4'-[[4-methyl-6-((2-phenylpropyl)carbamoyl)-2-
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Mol. Formula:
C34H33N3O3S
M.W.:
563.72
Type:
Small molecule
AlogP:
7.40
Polar Surface Area:
84.22
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA3735390 Name:
(S)-4'-[[4-methyl-6-((2-phenylpropyl)carbamoyl)-2-
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Mol. Formula:
C34H33N3O3S
M.W.:
563.72
Type:
Small molecule
AlogP:
7.40
Polar Surface Area:
84.22
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA3735940 Name:
(R)-N-(2-phenylpropyl)-1-[2'-(1H-tetrazol-5-yl)-1,
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Mol. Formula:
C33H31N7OS
M.W.:
573.73
Type:
Small molecule
AlogP:
6.50
Polar Surface Area:
101.38
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA3736346 Name:
(S)-N-(2-phenylpropyl)-1-[2'-(1H-tetrazol-5-yl)-1,
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Mol. Formula:
C33H31N7OS
M.W.:
573.73
Type:
Small molecule
AlogP:
6.50
Polar Surface Area:
101.38
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA3735653 Name:
(R)-4'-[[4-methyl-6-((2-phenylpropyl)carbamoyl)-2-
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Mol. Formula:
C33H31N3O3S
M.W.:
549.70
Type:
Small molecule
AlogP:
7.01
Polar Surface Area:
84.22
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA3736338 Name:
(S)-4'-[[4-methyl-6-((2-phenylpropyl)carbamoyl)-2-
Show More⌵
Mol. Formula:
C33H31N3O3S
M.W.:
549.70
Type:
Small molecule
AlogP:
7.01
Polar Surface Area:
84.22
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA3736451 Name:
(S)-4'-[[4-methyl-6-((2-phenylpropyl)carbamoyl)-2-
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Mol. Formula:
C34H33N3O4
M.W.:
547.66
Type:
Small molecule
AlogP:
6.69
Polar Surface Area:
93.45
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
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