Type:
---AlogP:
3.80Polar Surface Area:
48.42HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.75DETAILS
Type:
---AlogP:
4.31Polar Surface Area:
48.67HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.74DETAILS
ALA5288910Name:
2-benzylidene-7,7-dimethyl-8,9-dihydro-2H-furo[2,3-f]chromen-3(7H)-oneMol. Formula:
C20H18O3M.W.:
306.36Type:
---AlogP:
4.41Polar Surface Area:
35.53HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.73DETAILS
Type:
---AlogP:
4.12Polar Surface Area:
64.99HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.82DETAILS
Type:
---AlogP:
4.11Polar Surface Area:
55.76HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.80DETAILS-
Type:
---AlogP:
3.82Polar Surface Area:
75.99HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.61DETAILS - ALA4790748
Name:
[2-oxo-3-(2-phenylethyl)-1,3-benzoxazol-4-yl]-2-methylbenzenesulfonateMol. Formula:
C22H19NO5SM.W.:
409.46Type:
UnknownAlogP:
3.91Polar Surface Area:
78.51HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
UnknownAlogP:
2.05Polar Surface Area:
139.47HBA:
10HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.26DETAILS -
Type:
UnknownAlogP:
2.45Polar Surface Area:
96.33HBA:
8HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
UnknownAlogP:
2.56Polar Surface Area:
191.73HBA:
11HBD:
3#RO5 Violations:
2#Rotatable Bonds:
19Passes Ro3:
NQED Weighted:
0.07DETAILS -
Type:
UnknownAlogP:
-3.71Polar Surface Area:
202.11HBA:
10HBD:
7#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.07DETAILS -
Type:
UnknownAlogP:
-1.42Polar Surface Area:
226.39HBA:
14HBD:
3#RO5 Violations:
2#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.06DETAILS -
Type:
UnknownAlogP:
-1.42Polar Surface Area:
226.39HBA:
14HBD:
3#RO5 Violations:
2#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.06DETAILS -
Type:
Small moleculeAlogP:
3.16Polar Surface Area:
167.28HBA:
12HBD:
3#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
Small moleculeAlogP:
3.83Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
Small moleculeAlogP:
4.31Polar Surface Area:
187.26HBA:
14HBD:
1#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.22DETAILS - ALA3902383
Name:
3beta,12-dihydroxy-13-methylpodocarpane-8,10,13-trieneMol. Formula:
C18H26O2M.W.:
274.40Type:
Small moleculeAlogP:
3.70Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
Small moleculeAlogP:
4.31Polar Surface Area:
187.26HBA:
14HBD:
1#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.22DETAILS - ALA3736069
Name:
(R/S)-7-[(3-(1-(Methylamino)ethyl)phenoxy)methyl]quinolin-2-amineMol. Formula:
C19H21N3OM.W.:
307.40Type:
Small moleculeAlogP:
3.68Polar Surface Area:
60.17HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
Small moleculeAlogP:
2.51Polar Surface Area:
73.06HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.76DETAILS
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