ALA4879282Name:
(S)-2-(4-fluoro-1H-indole-2-carboxamido)-3-(4-methoxyphenyl)propanoic acidMol. Formula:
C19H17FN2O4M.W.:
356.35Type:
UnknownAlogP:
2.74Polar Surface Area:
91.42HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.63DETAILS
Type:
UnknownAlogP:
3.04Polar Surface Area:
102.42HBA:
3HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.43DETAILS
ALA4875916Name:
(S)-2-(4-fluoro-1H-indole-2-carboxamido)-3-(naphthalen-2-yl)propanoic acidMol. Formula:
C22H17FN2O3M.W.:
376.39Type:
UnknownAlogP:
3.89Polar Surface Area:
82.19HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.49DETAILS
ALA4874500Name:
(S)-2-(4-fluoro-1H-indole-2-carboxamido)-3-(3-iodophenyl)propanoic acidMol. Formula:
C18H14FIN2O3M.W.:
452.22Type:
UnknownAlogP:
3.34Polar Surface Area:
82.19HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.52DETAILS
Type:
UnknownAlogP:
3.09Polar Surface Area:
102.42HBA:
3HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.55DETAILS-
Type:
UnknownAlogP:
3.04Polar Surface Area:
102.42HBA:
3HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
UnknownAlogP:
3.04Polar Surface Area:
102.42HBA:
3HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.43DETAILS - ALA4869829
Name:
(S)-3-(4-hydroxy-3-iodophenyl)-2-(1H-indole-2-carboxamido)propanoic acidMol. Formula:
C18H15IN2O4M.W.:
450.23Type:
UnknownAlogP:
2.90Polar Surface Area:
102.42HBA:
3HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
UnknownAlogP:
3.04Polar Surface Area:
102.42HBA:
3HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
UnknownAlogP:
3.04Polar Surface Area:
102.42HBA:
3HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
UnknownAlogP:
3.31Polar Surface Area:
99.77HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
UnknownAlogP:
2.35Polar Surface Area:
145.56HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.38DETAILS -
Type:
UnknownAlogP:
3.20Polar Surface Area:
102.42HBA:
3HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA4852232
Name:
(S)-2-(4-fluoro-1H-indole-2-carboxamido)-3-(4-iodophenyl)propanoic acidMol. Formula:
C18H14FIN2O3M.W.:
452.22Type:
UnknownAlogP:
3.34Polar Surface Area:
82.19HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
UnknownAlogP:
3.04Polar Surface Area:
102.42HBA:
3HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
6.81Polar Surface Area:
63.93HBA:
5HBD:
1#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.19DETAILS -
Type:
Small moleculeAlogP:
3.80Polar Surface Area:
91.28HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.52DETAILS - 3-(3-(Naphthalen-1-yloxy)propyl)-1H-indole-2-carboxylic acid
Name:
3-(3-(Naphthalen-1-yloxy)propyl)-1H-indole-2-carboxylic acidMol. Formula:
C22H19NO3M.W.:
345.40Type:
Small moleculeAlogP:
5.03Polar Surface Area:
62.32HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
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