Type:
---AlogP:
3.60Polar Surface Area:
99.18HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.35DETAILS
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
---AlogP:
1.72Polar Surface Area:
133.60HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.27DETAILS
Type:
---AlogP:
5.60Polar Surface Area:
108.83HBA:
6HBD:
2#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.21DETAILS
Type:
---AlogP:
5.66Polar Surface Area:
95.94HBA:
5HBD:
2#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.24DETAILS-
Type:
---AlogP:
4.48Polar Surface Area:
99.18HBA:
6HBD:
2#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
---AlogP:
1.78Polar Surface Area:
108.41HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
---AlogP:
3.09Polar Surface Area:
153.55HBA:
7HBD:
3#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.26DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
---AlogP:
2.40Polar Surface Area:
129.45HBA:
8HBD:
3#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
---AlogP:
3.63Polar Surface Area:
107.53HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.20DETAILS -
Type:
---AlogP:
2.46Polar Surface Area:
137.58HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.38DETAILS - ALA5284605
Name:
N-(1H-benzimidazol-2-yl)-4-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]butanamideMol. Formula:
C19H17N5O2SM.W.:
379.45Type:
---AlogP:
3.31Polar Surface Area:
103.53HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.27DETAILS -
Type:
---AlogP:
1.33Polar Surface Area:
95.94HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA5283337
Name:
methyl 2-[4-[4-(thiiran-2-ylmethylsulfonyl)phenoxy]phenyl]acetateMol. Formula:
C18H18O5S2M.W.:
378.47Type:
---AlogP:
3.08Polar Surface Area:
69.67HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
---AlogP:
3.54Polar Surface Area:
95.94HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
---AlogP:
2.84Polar Surface Area:
83.47HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.79DETAILS - ALA4872688
Name:
2-(4-(2-(4-isopropylphenyl)-2H-tetrazol-5-yl)phenylsulfonamido)acetic acidMol. Formula:
C18H19N5O4SM.W.:
401.45Type:
UnknownAlogP:
1.82Polar Surface Area:
127.07HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.62DETAILS -
Type:
UnknownAlogP:
2.87Polar Surface Area:
86.48HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
UnknownAlogP:
3.46Polar Surface Area:
58.20HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.55DETAILS
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