Type:
Small moleculeAlogP:
1.94Polar Surface Area:
127.95HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.36DETAILS
ALA1392694Name:
2-Hydroxy-4-oxo-4-p-tolyl-but-2-enoic acid methyl esterMol. Formula:
C12H12O4M.W.:
220.22Type:
Small moleculeAlogP:
1.64Polar Surface Area:
63.60HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.36DETAILS
ALA554000Name:
2-Amino-4-(3,4-dichloro-phenyl)-4-oxo-butyric acid hydrochlorideMol. Formula:
C10H10Cl3NO3M.W.:
298.55Type:
Small moleculeAlogP:
1.98Polar Surface Area:
80.39HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.81DETAILS
ALA342434Name:
N-[4-(4-Methoxy-phenyl)-thiazol-2-yl]-4-methyl-benzenesulfonamideMol. Formula:
C17H16N2O3S2M.W.:
360.46Type:
Small moleculeAlogP:
3.93Polar Surface Area:
68.29HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.75DETAILS
ALA138960Name:
4-Methyl-N-(4-p-tolyl-thiazol-2-yl)-benzenesulfonamideMol. Formula:
C17H16N2O2S2M.W.:
344.46Type:
Small moleculeAlogP:
4.23Polar Surface Area:
59.06HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS-
Type:
Small moleculeAlogP:
1.64Polar Surface Area:
97.51HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA343947
Name:
4-Isopropyl-N-[4-(3-nitro-phenyl)-thiazol-2-yl]-benzenesulfonamideMol. Formula:
C18H17N3O4S2M.W.:
403.49Type:
Small moleculeAlogP:
4.64Polar Surface Area:
102.20HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
4.79Polar Surface Area:
77.52HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
4.35Polar Surface Area:
85.08HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.49DETAILS - ALA136265
Name:
N-[4-(3,4-Dichloro-phenyl)-thiazol-2-yl]-4-methyl-benzenesulfonamideMol. Formula:
C16H12Cl2N2O2S2M.W.:
399.32Type:
Small moleculeAlogP:
5.23Polar Surface Area:
59.06HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA138010
Name:
N-[4-(4-Hydroxy-3-methyl-phenyl)-thiazol-2-yl]-4-methyl-benzenesulfonamideMol. Formula:
C17H16N2O3S2M.W.:
360.46Type:
Small moleculeAlogP:
3.93Polar Surface Area:
79.29HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA139909
Name:
2-Amino-4-(3,4-dichloro-phenyl)-4-oxo-butyric acidMol. Formula:
C10H9Cl2NO3M.W.:
262.09Type:
Small moleculeAlogP:
1.98Polar Surface Area:
80.39HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.81DETAILS - ALA136826
Name:
3,4-Dichloro-N-[4-(3-nitro-phenyl)-thiazol-2-yl]-benzenesulfonamideMol. Formula:
C15H9Cl2N3O4S2M.W.:
430.29Type:
Small moleculeAlogP:
4.83Polar Surface Area:
102.20HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA136545
Name:
4-Methyl-N-[4-(3-nitro-phenyl)-thiazol-2-yl]-benzenesulfonamideMol. Formula:
C16H13N3O4S2M.W.:
375.43Type:
Small moleculeAlogP:
3.83Polar Surface Area:
102.20HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.54DETAILS - ALA343363
Name:
N-[4-(3-Nitro-phenyl)-thiazol-2-yl]-benzenesulfonamideMol. Formula:
C15H11N3O4S2M.W.:
361.40Type:
Small moleculeAlogP:
3.52Polar Surface Area:
102.20HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.55DETAILS - ALA137395
Name:
4-Chloro-N-[4-(3-nitro-phenyl)-thiazol-2-yl]-benzenesulfonamideMol. Formula:
C15H10ClN3O4S2M.W.:
395.85Type:
Small moleculeAlogP:
4.17Polar Surface Area:
102.20HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.52DETAILS - ALA136819
Name:
4-Methoxy-N-[4-(3-nitro-phenyl)-thiazol-2-yl]-benzenesulfonamideMol. Formula:
C16H13N3O5S2M.W.:
391.43Type:
Small moleculeAlogP:
3.53Polar Surface Area:
111.43HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.51DETAILS - Ro 61-8048
Name:
3,4-Dimethoxy-N-[4-(3-nitro-phenyl)-thiazol-2-yl]-benzenesulfonamideMol. Formula:
C17H15N3O6S2M.W.:
421.46Type:
Small moleculeAlogP:
3.54Polar Surface Area:
120.66HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA136328
Name:
4-Amino-N-[4-(3-nitro-phenyl)-thiazol-2-yl]-benzenesulfonamideMol. Formula:
C15H12N4O4S2M.W.:
376.42Type:
Small moleculeAlogP:
3.10Polar Surface Area:
128.22HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA335326
Name:
N-[4-(4-Chloro-phenyl)-thiazol-2-yl]-4-methyl-benzenesulfonamideMol. Formula:
C16H13ClN2O2S2M.W.:
364.88Type:
Small moleculeAlogP:
4.57Polar Surface Area:
59.06HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.74DETAILS
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