Type:
---AlogP:
3.80Polar Surface Area:
123.85HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.36DETAILS
Type:
---AlogP:
5.33Polar Surface Area:
115.06HBA:
8HBD:
3#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.28DETAILS
Type:
---AlogP:
4.15Polar Surface Area:
115.06HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.39DETAILS
ALA5202404Name:
9-((allyloxy)imino)-9H-fluorene-2,3-dicarbonitrileMol. Formula:
C16H9N5OM.W.:
287.28Type:
---AlogP:
2.16Polar Surface Area:
94.95HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.42DETAILS
ALA5208383Name:
9-((benzyloxy)imino)-9H-fluorene-2,3-dicarbonitrileMol. Formula:
C20H11N5OM.W.:
337.34Type:
---AlogP:
3.17Polar Surface Area:
94.95HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.54DETAILS-
Type:
---AlogP:
4.56Polar Surface Area:
145.27HBA:
9HBD:
3#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
---AlogP:
4.38Polar Surface Area:
95.17HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
---AlogP:
1.99Polar Surface Area:
106.61HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
---AlogP:
4.53Polar Surface Area:
115.06HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
---AlogP:
1.67Polar Surface Area:
123.60HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA5180195
Name:
9-(ethoxyimino)-9H-indeno[1,2-b]pyrazine-2,3-dicarbonitrileMol. Formula:
C15H9N5OM.W.:
275.27Type:
---AlogP:
1.99Polar Surface Area:
94.95HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
---AlogP:
2.16Polar Surface Area:
103.45HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
---AlogP:
3.32Polar Surface Area:
75.38HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.69DETAILS - ALA5175647
Name:
2-(4-(1,4-Diazepan-1-yl)phenyl)-5,7-dhydroxy-8-isopropoxy-4H-chromen-4-oneMol. Formula:
C23H26N2O5M.W.:
410.47Type:
---AlogP:
3.46Polar Surface Area:
95.17HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
---AlogP:
2.93Polar Surface Area:
75.38HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
---AlogP:
3.12Polar Surface Area:
135.29HBA:
9HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
---AlogP:
2.64Polar Surface Area:
64.65HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.60DETAILS -
Type:
---AlogP:
2.84Polar Surface Area:
103.37HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA3260672
Name:
Methyl 4-(2-(3-(4-chlorophenyl)ureido)benzamido)but-2-enoateMol. Formula:
C19H18ClN3O4M.W.:
387.82Type:
Small moleculeAlogP:
3.44Polar Surface Area:
96.53HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.52DETAILS
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