ALA5185809Name:
2-anilino-N-(1H-benzimidazol-5-yl)thiazole-4-carboxamideMol. Formula:
C17H13N5OSM.W.:
335.39Type:
---AlogP:
4.02Polar Surface Area:
82.70HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.53DETAILS
ALA4796016Name:
3-(3-chlorophenyl)-6,7-dihydropyrrolo[3,4-g]indol-8(1H)-oneMol. Formula:
C16H11ClN2OM.W.:
282.73Type:
UnknownAlogP:
3.73Polar Surface Area:
44.89HBA:
1HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.70DETAILS
Type:
Small moleculeAlogP:
4.07Polar Surface Area:
119.70HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.46DETAILS
Type:
Small moleculeAlogP:
4.49Polar Surface Area:
93.68HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.58DETAILS
Type:
Small moleculeAlogP:
4.07Polar Surface Area:
119.70HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.46DETAILS-
Type:
Small moleculeAlogP:
4.44Polar Surface Area:
122.78HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
3.55Polar Surface Area:
105.71HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
4.49Polar Surface Area:
93.68HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
4.07Polar Surface Area:
119.70HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
3.93Polar Surface Area:
93.68HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.62DETAILS -
Type:
Small moleculeAlogP:
4.07Polar Surface Area:
119.70HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
4.49Polar Surface Area:
93.68HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
4.44Polar Surface Area:
122.78HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
4.49Polar Surface Area:
93.68HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
3.55Polar Surface Area:
105.71HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.49DETAILS - ALA2392390
Name:
2-(benzo[d][1,3]dioxol-5-yl)-N-(4-methoxybenzyl)pyrimidin-4-amineMol. Formula:
C19H17N3O3M.W.:
335.36Type:
Small moleculeAlogP:
3.49Polar Surface Area:
65.50HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.77DETAILS - ALA2392367
Name:
N-(3,4-Dichlorobenzyl)-4-(1H-indazol-6-yl)pyrimidin-2-amineMol. Formula:
C18H13Cl2N5M.W.:
370.24Type:
Small moleculeAlogP:
4.94Polar Surface Area:
66.49HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA2392366
Name:
N-(3,4-dichlorobenzyl)-4-(3,4-dimethoxyphenyl)pyrimidin-2-amineMol. Formula:
C19H17Cl2N3O2M.W.:
390.27Type:
Small moleculeAlogP:
5.08Polar Surface Area:
56.27HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA2392239
Name:
2-(Benzo[d][1,3]dioxol-5-yl)-N-(quinolin-3-ylmethyl)pyrimidin-4-amineMol. Formula:
C21H16N4O2M.W.:
356.39Type:
Small moleculeAlogP:
4.03Polar Surface Area:
69.16HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.60DETAILS -
Type:
Small moleculeAlogP:
3.19Polar Surface Area:
69.16HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.80DETAILS
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