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NDT9520492 Name:
(S)-N-(2,3-dihydro-1H-inden-2-yl)-N-(2-fluorobenzyl)-2-((R)-1-(naphthalen-1Show More⌵
Mol. Formula:
C38H35FN2O
M.W.:
554.71
Type:
Small molecule
AlogP:
7.51
Polar Surface Area:
23.55
HBA:
2
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA4245250 Name:
N,N-bis(benzo[d][1,3]dioxol-5-ylmethyl)-1-butyl-2,4-diphenyl-1H-imidazol-5-Show More⌵
Mol. Formula:
C35H33N3O4
M.W.:
559.67
Type:
Small molecule
AlogP:
7.68
Polar Surface Area:
57.98
HBA:
7
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA3735014 Name:
(S)-N-((3R,6S,9S,15S,20aS)-6-((1H-indol-2-yl)methyl)-3-(cyclohexylmethyl)-9Show More⌵
Mol. Formula:
C47H65N11O7
M.W.:
896.11
Type:
Protein
AlogP:
1.53
Polar Surface Area:
272.60
HBA:
8
HBD:
10
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA3736513 Name:
(S)-2-(2-((S)-1-(5-bromonicotinamido)-3-methylbutyl)-5-methyloxazole-4-carbShow More⌵
Mol. Formula:
C22H30BrN7O5
M.W.:
552.43
Type:
Small molecule
AlogP:
2.10
Polar Surface Area:
196.32
HBA:
7
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA3736325 Name:
(S)-5-guanidino-2-(5-methyl-2-((S)-3-methyl-1-(4-phenoxybenzamido)butyl)oxaShow More⌵
Mol. Formula:
C29H36N6O6
M.W.:
564.64
Type:
Small molecule
AlogP:
3.74
Polar Surface Area:
192.66
HBA:
7
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA3735404 Name:
(S)-5-guanidino-2-(5-methyl-2-((S)-3-methyl-1-(4-((E)-phenyldiazenyl)benzamShow More⌵
Mol. Formula:
C29H36N8O5
M.W.:
576.66
Type:
Small molecule
AlogP:
4.36
Polar Surface Area:
208.15
HBA:
8
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA3734951 Name:
(S)-2-(2-((S)-1-(3-benzylureido)-3-methylbutyl)-5-methyloxazole-4-carboxamiShow More⌵
Mol. Formula:
C24H35N7O5
M.W.:
501.59
Type:
Small molecule
AlogP:
2.02
Polar Surface Area:
195.46
HBA:
6
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA3736340 Name:
(S)-2-(2-((S)-1-(2-(2,5-dimethoxyphenyl)acetamido)-3-methylbutyl)-5-methyloShow More⌵
Mol. Formula:
C26H38N6O7
M.W.:
546.63
Type:
Small molecule
AlogP:
1.89
Polar Surface Area:
201.89
HBA:
8
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA3735180 Name:
(S)-2-(2-((S)-1-(2-(3,4-dimethoxyphenyl)acetamido)-3-methylbutyl)-5-methyloShow More⌵
Mol. Formula:
C26H38N6O7
M.W.:
546.63
Type:
Small molecule
AlogP:
1.89
Polar Surface Area:
201.89
HBA:
8
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA3736115 Name:
(S)-5-guanidino-2-(2-((S)-1-(3-methoxybenzamido)-3-methylbutyl)-5-methyloxaShow More⌵
Mol. Formula:
C24H34N6O6
M.W.:
502.57
Type:
Small molecule
AlogP:
1.96
Polar Surface Area:
192.66
HBA:
7
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA3735332 Name:
(S)-5-guanidino-2-(2-((S)-1-(3-(4-methoxyphenyl)propanamido)-3-methylbutyl)Show More⌵
Mol. Formula:
C26H38N6O6
M.W.:
530.63
Type:
Small molecule
AlogP:
2.27
Polar Surface Area:
192.66
HBA:
7
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA3735774 Name:
(S)-5-guanidino-2-(5-methyl-2-((S)-3-methyl-1-(phenylsulfonylmethanamido)buShow More⌵
Mol. Formula:
C23H32N6O7S
M.W.:
536.61
Type:
Small molecule
AlogP:
1.70
Polar Surface Area:
217.57
HBA:
8
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA3735495 Name:
(S)-5-guanidino-2-(2-((S)-1-(2-(4-methoxyphenyl)acetamido)-3-methylbutyl)-5Show More⌵
Mol. Formula:
C25H36N6O6
M.W.:
516.60
Type:
Small molecule
AlogP:
1.88
Polar Surface Area:
192.66
HBA:
7
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA3735358 Name:
(S)-5-guanidino-2-(2-((S)-1-(2-(3-methoxyphenyl)acetamido)-3-methylbutyl)-5Show More⌵
Mol. Formula:
C25H36N6O6
M.W.:
516.60
Type:
Small molecule
AlogP:
1.88
Polar Surface Area:
192.66
HBA:
7
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA3734890 Name:
(S)-5-guanidino-2-(2-((S)-1-(2-(2-methoxyphenyl)acetamido)-3-methylbutyl)-5Show More⌵
Mol. Formula:
C25H36N6O6
M.W.:
516.60
Type:
Small molecule
AlogP:
1.88
Polar Surface Area:
192.66
HBA:
7
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA3736337 Name:
(S)-5-guanidino-2-(5-methyl-2-((S)-3-methyl-1-(4-(trifluoromethyl)benzamidoShow More⌵
Mol. Formula:
C24H31F3N6O5
M.W.:
540.54
Type:
Small molecule
AlogP:
2.97
Polar Surface Area:
183.43
HBA:
6
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA3735586 Name:
(S)-5-guanidino-2-(5-methyl-2-((S)-3-methyl-1-(4-methylpentanamido)butyl)oxShow More⌵
Mol. Formula:
C22H38N6O5
M.W.:
466.58
Type:
Small molecule
AlogP:
2.07
Polar Surface Area:
183.43
HBA:
6
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA3734935 Name:
(S)-2-(2-((S)-1-(3,3-dimethylbutanamido)-3-methylbutyl)-5-methyloxazole-4-cShow More⌵
Mol. Formula:
C22H38N6O5
M.W.:
466.58
Type:
Small molecule
AlogP:
2.07
Polar Surface Area:
183.43
HBA:
6
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA3736394 Name:
(S)-2-(2-((S)-1-(2-cyclohexylacetamido)-3-methylbutyl)-5-methyloxazole-4-caShow More⌵
Mol. Formula:
C24H40N6O5
M.W.:
492.62
Type:
Small molecule
AlogP:
2.60
Polar Surface Area:
183.43
HBA:
6
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA3735150 Name:
(S)-2-(2-((S)-1-(cyclohexanecarboxamido)-3-methylbutyl)-5-methyloxazole-4-cShow More⌵
Mol. Formula:
C23H38N6O5
M.W.:
478.59
Type:
Small molecule
AlogP:
2.21
Polar Surface Area:
183.43
HBA:
6
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
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