Type:
---AlogP:
9.16Polar Surface Area:
90.28HBA:
7HBD:
2#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.20DETAILS
ALA5275327Name:
3-(naphthalen-2-yl)-2-(3,4,5-trimethoxyphenyl)acrylonitrileMol. Formula:
C22H19NO3M.W.:
345.40Type:
---AlogP:
4.93Polar Surface Area:
51.48HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.49DETAILS
Type:
---AlogP:
5.22Polar Surface Area:
45.92HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.45DETAILS
Type:
---AlogP:
6.47Polar Surface Area:
144.27HBA:
7HBD:
2#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.17DETAILS
Type:
---AlogP:
7.30Polar Surface Area:
59.00HBA:
5HBD:
1#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.25DETAILS-
Type:
---AlogP:
5.83Polar Surface Area:
153.50HBA:
10HBD:
2#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.20DETAILS -
Type:
---AlogP:
6.94Polar Surface Area:
80.92HBA:
4HBD:
4#RO5 Violations:
1#Rotatable Bonds:
17Passes Ro3:
NQED Weighted:
0.13DETAILS -
Type:
---AlogP:
5.62Polar Surface Area:
156.66HBA:
10HBD:
3#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.14DETAILS -
Type:
---AlogP:
7.62Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
UnknownAlogP:
4.84Polar Surface Area:
179.38HBA:
12HBD:
2#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.12DETAILS -
Type:
UnknownAlogP:
5.62Polar Surface Area:
179.38HBA:
12HBD:
2#RO5 Violations:
3#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.10DETAILS -
Type:
UnknownAlogP:
4.07Polar Surface Area:
87.45HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
UnknownAlogP:
4.24Polar Surface Area:
87.45HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.44DETAILS - ALA4746501
Name:
N-(3,4-difluorophenyl)-5-(3-morpholinopropoxy)quinolin-2-amineMol. Formula:
C22H23F2N3O2M.W.:
399.44Type:
UnknownAlogP:
4.36Polar Surface Area:
46.62HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.60DETAILS -
Type:
UnknownAlogP:
4.54Polar Surface Area:
67.35HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA4571746
Name:
1-(1-methyl-9-(3,4,5-trimethoxybenzyl)-9H-pyrido[3,4-b]indol-6-yl)ethanoneMol. Formula:
C24H24N2O4M.W.:
404.47Type:
UnknownAlogP:
4.77Polar Surface Area:
62.58HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
UnknownAlogP:
3.78Polar Surface Area:
108.74HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
UnknownAlogP:
4.43Polar Surface Area:
75.94HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA4475054
Name:
2-methoxy-5-(6,7,8-trimethoxy-4,5-dihydro-2H-benzo[e]indazol-1-yl)anilineMol. Formula:
C21H23N3O4M.W.:
381.43Type:
UnknownAlogP:
3.46Polar Surface Area:
91.62HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
UnknownAlogP:
5.48Polar Surface Area:
54.74HBA:
6HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.38DETAILS
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