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ALA5209004 Name:
(2S)-N-[(1S)-5-amino-1-carbamoyl-pentyl]-1-[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-[[Show More⌵
Mol. Formula:
C43H57N9O9
M.W.:
843.98
Type:
---
AlogP:
-0.87
Polar Surface Area:
301.40
HBA:
11
HBD:
10
#RO5 Violations:
3
#Rotatable Bonds:
22
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA5201627 Name:
(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-guanidino-pentaShow More⌵
Mol. Formula:
C15H24N6O3
M.W.:
336.40
Type:
---
AlogP:
-1.50
Polar Surface Area:
180.34
HBA:
5
HBD:
7
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA5197191 Name:
(2R)-N-[(1S)-2-[[2-[[(1S)-2-amino-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]aShow More⌵
Mol. Formula:
C35H45N9O7
M.W.:
703.80
Type:
---
AlogP:
-1.23
Polar Surface Area:
287.87
HBA:
9
HBD:
11
#RO5 Violations:
2
#Rotatable Bonds:
19
Passes Ro3:
N
QED Weighted:
0.04
DETAILS
CLOSE
ALA5187788 Name:
methyl (E)-2-[(2S,3S,7aS,12aR,12bS)-3-ethyl-7a-hydroxy-8-methoxy-2,3,4,6,7,Show More⌵
Mol. Formula:
C23H32N2O5
M.W.:
416.52
Type:
---
AlogP:
2.50
Polar Surface Area:
80.26
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA5186833 Name:
2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-guShow More⌵
Mol. Formula:
C26H35N7O6
M.W.:
541.61
Type:
---
AlogP:
-1.06
Polar Surface Area:
232.75
HBA:
7
HBD:
9
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA5185896 Name:
(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propShow More⌵
Mol. Formula:
C40H52N10O8
M.W.:
800.92
Type:
---
AlogP:
-1.24
Polar Surface Area:
308.18
HBA:
10
HBD:
11
#RO5 Violations:
2
#Rotatable Bonds:
20
Passes Ro3:
N
QED Weighted:
0.04
DETAILS
CLOSE
ALA5178271 Name:
methyl (E)-2-[(2S,3S,7aS,12aR,12bS)-3-ethyl-9-fluoro-7a-hydroxy-8-methoxy-2Show More⌵
Mol. Formula:
C23H31FN2O5
M.W.:
434.51
Type:
---
AlogP:
2.64
Polar Surface Area:
80.26
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA5176903 Name:
(2R)-N-[(1S)-2-amino-1-benzyl-2-oxo-ethyl]-2-[[(2S)-2-amino-3-(4-hydroxypheShow More⌵
Mol. Formula:
C24H33N7O4
M.W.:
483.57
Type:
---
AlogP:
-0.78
Polar Surface Area:
209.44
HBA:
6
HBD:
8
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA5171778 Name:
(2S)-N-[(1S)-2-amino-1-(hydroxymethyl)-2-oxo-ethyl]-1-[(2S)-2-[[2-[[(2S)-2-Show More⌵
Mol. Formula:
C43H57N11O10
M.W.:
888.00
Type:
---
AlogP:
-2.76
Polar Surface Area:
357.51
HBA:
12
HBD:
13
#RO5 Violations:
3
#Rotatable Bonds:
23
Passes Ro3:
N
QED Weighted:
0.03
DETAILS
CLOSE
ALA4649916 Name:
Morphinan Cyclic Imine analogue
Mol. Formula:
C28H32N2O2
M.W.:
428.58
Type:
Unknown
AlogP:
3.95
Polar Surface Area:
44.73
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA4561040 Name:
1-[(4aRS,8RS,8aSR)-4-Butyl-8-(pyrrolidin-1-yl)-3,4,4a,5,6,7,8,8aoctahydroquShow More⌵
Mol. Formula:
C24H35Cl2N3O
M.W.:
452.47
Type:
Unknown
AlogP:
4.87
Polar Surface Area:
26.79
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4555496 Name:
2-(3,4-Dichlorophenyl)-1-{(4aRS,8RS,8aSR)-4-[2-(2-fluoroethoxy)acetyl]-8-(pShow More⌵
Mol. Formula:
C24H32Cl2FN3O3
M.W.:
500.44
Type:
Unknown
AlogP:
3.58
Polar Surface Area:
53.09
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4518180 Name:
2-(3,4-Dichlorophenyl)-1-((4aRS,8RS,8aSR)-4-{2-[4-(3-fluoropropyl)-1H-1,2,3Show More⌵
Mol. Formula:
C27H35Cl2FN6O2
M.W.:
565.52
Type:
Unknown
AlogP:
3.79
Polar Surface Area:
74.57
HBA:
6
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4463652 Name:
2-(3,4-Dichlorophenyl)-1-[(4aRS,8RS,8aSR)-4-{[1-(2-fluoroethyl)-1H-1,2,3-trShow More⌵
Mol. Formula:
C25H33Cl2FN6O
M.W.:
523.48
Type:
Unknown
AlogP:
3.83
Polar Surface Area:
57.50
HBA:
6
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4451876 Name:
2-(3,4-Dichlorophenyl)-1-[(4aRS,8RS,8aSR)-4-(4-fluorobutyl)-8-(pyrrolidin-1Show More⌵
Mol. Formula:
C24H34Cl2FN3O
M.W.:
470.46
Type:
Unknown
AlogP:
4.82
Polar Surface Area:
26.79
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4438714 Name:
2-(3,4-Dichlorophenyl)-1-[(4aRS,8RS,8aSR)-4-(4-fluorobenzyl)-8-(pyrrolidin-Show More⌵
Mol. Formula:
C27H32Cl2FN3O
M.W.:
504.48
Type:
Unknown
AlogP:
5.40
Polar Surface Area:
26.79
HBA:
3
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4435256 Name:
2-(3,4-Dichlorophenyl)-1-[(4aRS,8RS,8aSR)-4-(2-fluoroethyl)-8-(pyrrolidin-1Show More⌵
Mol. Formula:
C22H30Cl2FN3O
M.W.:
442.41
Type:
Unknown
AlogP:
4.04
Polar Surface Area:
26.79
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA4299483 Name:
(S)-1-((S)-2-(2-((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanaShow More⌵
Mol. Formula:
C56H64ClF6N9O8
M.W.:
1140.62
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4299476 Name:
(S)-1-((S)-2-(2-((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanaShow More⌵
Mol. Formula:
C56H64BrF6N9O8
M.W.:
1185.08
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4299466 Name:
(S)-1-((S)-2-(2-((R)-2-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)propanamShow More⌵
Mol. Formula:
C55H63F6N9O8
M.W.:
1092.15
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
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