ALA4867768Name:
4-chloro-N-[3-chloro-4-(trifluoromethoxy)phenyl]dithiazol-5-imineMol. Formula:
C11H9Cl2F3N2OS2M.W.:
377.24Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
ALA3753379Name:
5-bromo-2-(4-chloro-5H-1,2,3-dithiazol-5-ylideneamino)benzonitrileMol. Formula:
C9H3BrClN3S2M.W.:
332.63Type:
Small moleculeAlogP:
3.72Polar Surface Area:
49.04HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.75DETAILS
Type:
Small moleculeAlogP:
0.24Polar Surface Area:
98.90HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.62DETAILS
ALA3576943Name:
(S)-2-amino-5-(2-(morpholinosulfonylmethyl)benzylamino)-5-oxopentanoic acidMol. Formula:
C17H25N3O6SM.W.:
399.47Type:
Small moleculeAlogP:
-0.34Polar Surface Area:
139.03HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.52DETAILS
ALA3576942Name:
(S)-2-amino-5-(2-morpholinobenzylamino)-5-oxopentanoic acidMol. Formula:
C16H23N3O4M.W.:
321.38Type:
Small moleculeAlogP:
0.33Polar Surface Area:
104.89HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.67DETAILS- ALA3576941
Name:
(S)-2-amino-5-(2-(morpholinomethyl)benzylamino)-5-oxopentanoic acidMol. Formula:
C17H25N3O4M.W.:
335.40Type:
Small moleculeAlogP:
0.33Polar Surface Area:
104.89HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA3576940
Name:
(S)-2-amino-5-oxo-5-(2-(2-(pyridin-4-yl)ethyl)phenylamino)pentanoic acidMol. Formula:
C18H21N3O3M.W.:
327.38Type:
Small moleculeAlogP:
2.00Polar Surface Area:
105.31HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.69DETAILS - ALA3576939
Name:
(S)-2-amino-5-(2-(4-methylpiperazin-1-yl)benzylamino)-5-oxopentanoic acidMol. Formula:
C17H26N4O3M.W.:
334.42Type:
Small moleculeAlogP:
0.25Polar Surface Area:
98.90HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.66DETAILS - ALA3576938
Name:
(S)-5-(2-(1H-benzo[d]imidazol-2-yl)phenylamino)-2-amino-5-oxopentanoic acidMol. Formula:
C18H18N4O3M.W.:
338.37Type:
Small moleculeAlogP:
2.36Polar Surface Area:
121.10HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.55DETAILS - ALA3576937
Name:
(S)-5-(2-(1H-pyrrol-1-yl)phenylamino)-2-amino-5-oxopentanoic acidMol. Formula:
C15H17N3O3M.W.:
287.32Type:
Small moleculeAlogP:
1.61Polar Surface Area:
97.35HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA3576936
Name:
(S)-2-amino-5-oxo-5-(2-(piperidin-1-yl)phenylamino)pentanoic acidMol. Formula:
C16H23N3O3M.W.:
305.38Type:
Small moleculeAlogP:
1.81Polar Surface Area:
95.66HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA3576935
Name:
(S)-2-amino-5-(4-morpholinophenylamino)-5-oxopentanoic acidMol. Formula:
C15H21N3O4M.W.:
307.35Type:
Small moleculeAlogP:
0.65Polar Surface Area:
104.89HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA3576934
Name:
(S)-2-amino-5-(2-(4-methylpiperazin-1-yl)phenylamino)-5-oxopentanoic acidMol. Formula:
C16H24N4O3M.W.:
320.39Type:
Small moleculeAlogP:
0.57Polar Surface Area:
98.90HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA3576933
Name:
(S)-2-amino-5-(3-morpholinophenylamino)-5-oxopentanoic acidMol. Formula:
C15H21N3O4M.W.:
307.35Type:
Small moleculeAlogP:
0.65Polar Surface Area:
104.89HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA3576932
Name:
(S)-2-amino-5-(biphenyl-2-ylamino)-5-oxopentanoic acidMol. Formula:
C17H18N2O3M.W.:
298.34Type:
Small moleculeAlogP:
2.48Polar Surface Area:
92.42HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA3576931
Name:
(S)-2-amino-5-oxo-5-(2-(piperazin-1-yl)phenylamino)pentanoic acidMol. Formula:
C15H22N4O3M.W.:
306.37Type:
Small moleculeAlogP:
0.23Polar Surface Area:
107.69HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.60DETAILS - ALA3576930
Name:
(S)-2-amino-5-oxo-5-(2-(pyrrolidin-1-ylmethyl)phenylamino)pentanoic acidMol. Formula:
C16H23N3O3M.W.:
305.38Type:
Small moleculeAlogP:
1.41Polar Surface Area:
95.66HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA3576929
Name:
(S)-2-amino-5-(2-(morpholinomethyl)phenylamino)-5-oxopentanoic acidMol. Formula:
C16H23N3O4M.W.:
321.38Type:
Small moleculeAlogP:
0.65Polar Surface Area:
104.89HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA3576928
Name:
(S)-2-amino-5-(2-(benzo[d]thiazol-2-yl)phenylamino)-5-oxopentanoic acidMol. Formula:
C18H17N3O3SM.W.:
355.42Type:
Small moleculeAlogP:
3.09Polar Surface Area:
105.31HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA3576927
Name:
(S)-2-amino-5-(2-morpholinophenylamino)-5-oxopentanoic acidMol. Formula:
C15H21N3O4M.W.:
307.35Type:
Small moleculeAlogP:
0.65Polar Surface Area:
104.89HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.71DETAILS
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