Type:
---AlogP:
2.51Polar Surface Area:
81.42HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.40DETAILS
Type:
---AlogP:
5.55Polar Surface Area:
162.84HBA:
14HBD:
2#RO5 Violations:
3#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.12DETAILS
Type:
UnknownAlogP:
3.94Polar Surface Area:
34.47HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.56DETAILS
ALA4251423Name:
2-(3-Chloroanilino)-5H-benzothiopyrano[4,3-d]pyrimidineMol. Formula:
C17H12ClN3SM.W.:
325.82Type:
Small moleculeAlogP:
5.15Polar Surface Area:
37.81HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.71DETAILS
ALA4250974Name:
2-(3-Trifluoromethylanilino)-5H-benzothiopyrano[4,3-d]pyrimidineMol. Formula:
C18H12F3N3SM.W.:
359.38Type:
Small moleculeAlogP:
5.51Polar Surface Area:
37.81HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.65DETAILS- ALA4248513
Name:
8-Chloro-2-(3,4-dimethoxyanilino)-5H-benzothiopyrano[4,3-d]pyrimidineMol. Formula:
C19H16ClN3O2SM.W.:
385.88Type:
Small moleculeAlogP:
5.16Polar Surface Area:
56.27HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA4248398
Name:
8-Methoxy-2-(3-bromoanilino)-5H-benzothiopyrano[4,3-d]pyrimidineMol. Formula:
C18H14BrN3OSM.W.:
400.30Type:
Small moleculeAlogP:
5.26Polar Surface Area:
47.04HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA4248316
Name:
8-Methoxy-2-(3,4,5-trimethoxyanilino)-5H-benzothiopyrano[4,3-d]pyrimidineMol. Formula:
C21H21N3O4SM.W.:
411.48Type:
Small moleculeAlogP:
4.53Polar Surface Area:
74.73HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA4247940
Name:
8-Chloro-2-(3-methoxyanilino)-5H-benzothiopyrano[4,3-d]pyrimidineMol. Formula:
C18H14ClN3OSM.W.:
355.85Type:
Small moleculeAlogP:
5.15Polar Surface Area:
47.04HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.70DETAILS - ALA4247697
Name:
8-Chloro-2-(3-chloroanilino)-5H-benzothiopyrano[4,3-d]pyrimidineMol. Formula:
C17H11Cl2N3SM.W.:
360.27Type:
Small moleculeAlogP:
5.80Polar Surface Area:
37.81HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA4247130
Name:
2-(3-Bromoanilino)-5H-benzothiopyrano[4,3-d]pyrimidineMol. Formula:
C17H12BrN3SM.W.:
370.27Type:
Small moleculeAlogP:
5.26Polar Surface Area:
37.81HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA4244593
Name:
8-Methoxy-2-(3-methoxyanilino)-5H-benzothiopyrano[4,3-d]pyrimidineMol. Formula:
C19H17N3O2SM.W.:
351.43Type:
Small moleculeAlogP:
4.51Polar Surface Area:
56.27HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA4244146
Name:
8-Methoxy-2-(3-fluoroanilino)-5H-benzothiopyrano[4,3-d]pyrimidineMol. Formula:
C18H14FN3OSM.W.:
339.40Type:
Small moleculeAlogP:
4.64Polar Surface Area:
47.04HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA4243998
Name:
8-Chloro-2-(3-trifluoromethylanilino)-5H-benzothiopyrano[4,3-d]pyrimidineMol. Formula:
C18H11ClF3N3SM.W.:
393.82Type:
Small moleculeAlogP:
6.17Polar Surface Area:
37.81HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.57DETAILS - ALA4243901
Name:
8-Chloro-2-(3-fluoroanilino)-5H-benzothiopyrano[4,3-d]pyrimidineMol. Formula:
C17H11ClFN3SM.W.:
343.81Type:
Small moleculeAlogP:
5.29Polar Surface Area:
37.81HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.69DETAILS - ALA4240958
Name:
2-(3-Methoxyanilino)-5H-benzothiopyrano[4,3-d]pyrimidineMol. Formula:
C18H15N3OSM.W.:
321.41Type:
Small moleculeAlogP:
4.50Polar Surface Area:
47.04HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.77DETAILS - ALA4240857
Name:
2-(3-Fluoroanilino)-5H-benzothiopyrano[4,3-d]pyrimidineMol. Formula:
C17H12FN3SM.W.:
309.37Type:
Small moleculeAlogP:
4.63Polar Surface Area:
37.81HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA4240389
Name:
8-Methoxy-2-(3-chloroanilino)-5H-benzothiopyrano[4,3-d]pyrimidineMol. Formula:
C18H14ClN3OSM.W.:
355.85Type:
Small moleculeAlogP:
5.15Polar Surface Area:
47.04HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.70DETAILS - ALA4239941
Name:
8-Chloro-2-(3-bromoanilino)-5H-benzothiopyrano[4,3-d]pyrimidineMol. Formula:
C17H11BrClN3SM.W.:
404.72Type:
Small moleculeAlogP:
5.91Polar Surface Area:
37.81HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.58DETAILS - ALA4238493
Name:
8-Chloro-2-(3,4,5-trimethoxyanilino)-5H-benzothiopyrano[4,3-d]pyrimidineMol. Formula:
C20H18ClN3O3SM.W.:
415.90Type:
Small moleculeAlogP:
5.17Polar Surface Area:
65.50HBA:
7HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.62DETAILS
The page will load shortly, Thanks for your patience!
Select all
