ALA5083204Name:
2(4-(Prop-2-yn-1-yloxy)phenyl)cycloprop-2-en-1-oneMol. Formula:
C12H8O2M.W.:
184.19Type:
UnknownAlogP:
1.60Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.68DETAILS
ALA5081122Name:
2,3-bis(4-(prop-2-yn-1-yloxy)phenyl)cycloprop-2-en-1-oneMol. Formula:
C21H14O3M.W.:
314.34Type:
UnknownAlogP:
3.28Polar Surface Area:
35.53HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.66DETAILS
ALA5077875Name:
Prop-2-yn-1-yl 5-(3-oxocycloprop-1-en-1-yl)pentanoateMol. Formula:
C11H12O3M.W.:
192.21Type:
UnknownAlogP:
0.81Polar Surface Area:
43.37HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.38DETAILS
ALA5075247Name:
2-(Diethylamino)-3-(4-(prop-2-yn-yloxy)phenyl)cycloprop-2-en-1-oneMol. Formula:
C16H17NO2M.W.:
255.32Type:
UnknownAlogP:
2.45Polar Surface Area:
29.54HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.74DETAILS
Type:
UnknownAlogP:
5.28Polar Surface Area:
109.36HBA:
7HBD:
3#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.46DETAILS-
Type:
UnknownAlogP:
5.42Polar Surface Area:
75.99HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
UnknownAlogP:
5.31Polar Surface Area:
120.36HBA:
7HBD:
4#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
Small moleculeAlogP:
2.59Polar Surface Area:
74.60HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
Small moleculeAlogP:
4.41Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.88DETAILS -
Type:
Small moleculeAlogP:
3.49Polar Surface Area:
60.69HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
Small moleculeAlogP:
4.52Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.80DETAILS -
Type:
Small moleculeAlogP:
3.71Polar Surface Area:
66.76HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.88DETAILS -
Type:
Small moleculeAlogP:
4.73Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.85DETAILS -
Type:
Small moleculeAlogP:
3.99Polar Surface Area:
37.30HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.90DETAILS -
Type:
Small moleculeAlogP:
4.61Polar Surface Area:
88.83HBA:
9HBD:
---#RO5 Violations:
1#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.31DETAILS -
Type:
Small moleculeAlogP:
5.72Polar Surface Area:
69.90HBA:
6HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
Small moleculeAlogP:
6.59Polar Surface Area:
95.22HBA:
6HBD:
---#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.17DETAILS -
Type:
Small moleculeAlogP:
4.56Polar Surface Area:
65.50HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA2409835
Name:
N-(4-Chlorophenyl)-5,6,7-trimethoxyquinazoline-4-amine hydrochlorideMol. Formula:
C17H17Cl2N3O3M.W.:
382.25Type:
Small moleculeAlogP:
4.05Polar Surface Area:
65.50HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA2409834
Name:
N-(2-Bromo-5-trifluoromethylphenyl)-5,6,7-trimethoxyquinazoline-4-amineMol. Formula:
C18H15BrF3N3O3M.W.:
458.23Type:
Small moleculeAlogP:
5.18Polar Surface Area:
65.50HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.57DETAILS
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