Type:
Small moleculeAlogP:
2.94Polar Surface Area:
86.99HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.46DETAILS
ALA3276559Name:
5-chloro-N-(4-(dibutylamino)-3-nitrophenyl)-2-hydroxybenzamideMol. Formula:
C21H26ClN3O4M.W.:
419.91Type:
Small moleculeAlogP:
5.61Polar Surface Area:
95.71HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.38DETAILS
ALA3276558Name:
5-chloro-2-hydroxy-N-(4-(4-methylpiperazin-1-yl)-3-nitrophenyl)benzamideMol. Formula:
C18H19ClN4O4M.W.:
390.83Type:
Small moleculeAlogP:
2.96Polar Surface Area:
98.95HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.61DETAILS
ALA3276557Name:
5-chloro-2-hydroxy-N-(3-nitro-4-(4-phenylpiperazin-1-yl)phenyl)benzamideMol. Formula:
C23H21ClN4O4M.W.:
452.90Type:
Small moleculeAlogP:
4.53Polar Surface Area:
98.95HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.44DETAILS
Type:
Small moleculeAlogP:
4.69Polar Surface Area:
115.94HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.37DETAILS- ALA3276556
Name:
5-chloro-2-hydroxy-N-(3-nitro-4-(4-phenylpiperidin-1-yl)phenyl)benzamideMol. Formula:
C24H22ClN3O4M.W.:
451.91Type:
Small moleculeAlogP:
5.59Polar Surface Area:
95.71HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.39DETAILS - ALA3276555
Name:
5-chloro-N-(4-(2-ethylpiperidin-1-yl)-3-nitrophenyl)-2-hydroxybenzamideMol. Formula:
C20H22ClN3O4M.W.:
403.87Type:
Small moleculeAlogP:
4.98Polar Surface Area:
95.71HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.54DETAILS - ALA3276554
Name:
5-chloro-N-(4-(cyclohexylamino)-3-nitrophenyl)-2-hydroxybenzamideMol. Formula:
C19H20ClN3O4M.W.:
389.84Type:
Small moleculeAlogP:
4.95Polar Surface Area:
104.50HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.50DETAILS - ALA3276553
Name:
5-chloro-2-hydroxy-N-(4-(4-methylpiperidin-1-yl)-3-nitrophenyl)benzamideMol. Formula:
C19H20ClN3O4M.W.:
389.84Type:
Small moleculeAlogP:
4.44Polar Surface Area:
95.71HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA3276552
Name:
5-chloro-2-hydroxy-N-(4-(3-methylpiperidin-1-yl)-3-nitrophenyl)benzamideMol. Formula:
C19H20ClN3O4M.W.:
389.84Type:
Small moleculeAlogP:
4.44Polar Surface Area:
95.71HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA3276551
Name:
5-chloro-2-hydroxy-N-(4-(2-methylpiperidin-1-yl)-3-nitrophenyl)benzamideMol. Formula:
C19H20ClN3O4M.W.:
389.84Type:
Small moleculeAlogP:
4.58Polar Surface Area:
95.71HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA3276550
Name:
N-(4-(azepan-1-yl)-3-nitrophenyl)-5-chloro-2-hydroxybenzamideMol. Formula:
C19H20ClN3O4M.W.:
389.84Type:
Small moleculeAlogP:
4.59Polar Surface Area:
95.71HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA3276549
Name:
5-chloro-2-hydroxy-N-(3-nitro-4-(piperidin-1-yl)phenyl)benzamideMol. Formula:
C18H18ClN3O4M.W.:
375.81Type:
Small moleculeAlogP:
4.20Polar Surface Area:
95.71HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA3276548
Name:
5-Chloro-3'-nitro-4'-N-pyrrolidinosalicylanilideMol. Formula:
C17H16ClN3O4M.W.:
361.79Type:
Small moleculeAlogP:
3.81Polar Surface Area:
95.71HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
Small moleculeAlogP:
3.60Polar Surface Area:
101.70HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA3276546
Name:
5-chloro-N-(4-(4-chlorophenoxy)-3-nitrophenyl)-2-hydroxybenzamideMol. Formula:
C19H12Cl2N2O5M.W.:
419.22Type:
Small moleculeAlogP:
5.65Polar Surface Area:
101.70HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.41DETAILS - ALA3276545
Name:
5-chloro-2-hydroxy-N-(3-nitro-4-(m-tolyloxy)phenyl)benzamideMol. Formula:
C20H15ClN2O5M.W.:
398.80Type:
Small moleculeAlogP:
5.31Polar Surface Area:
101.70HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA3276544
Name:
5-chloro-2-hydroxy-N-(3-nitro-4-(p-tolyloxy)phenyl)benzamideMol. Formula:
C20H15ClN2O5M.W.:
398.80Type:
Small moleculeAlogP:
5.31Polar Surface Area:
101.70HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
5.00Polar Surface Area:
101.70HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA3249539
Name:
5-isothiocyanato-2-(4-thiazolyl)-1H-benzimidazoleMol. Formula:
C11H6N4S2M.W.:
258.33Type:
Small moleculeAlogP:
3.42Polar Surface Area:
53.93HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.57DETAILS
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