Type:
---AlogP:
1.05Polar Surface Area:
132.94HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.36DETAILS
Type:
---AlogP:
2.71Polar Surface Area:
74.16HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.49DETAILS
Type:
---AlogP:
3.06Polar Surface Area:
85.16HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.34DETAILS
Type:
---AlogP:
0.43Polar Surface Area:
132.94HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.39DETAILS
ALA5208116Name:
2-(4-((2R,4S)-4-phenylpyrrolidine-2-carbonyl)piperazin-1-yl)nicotinonitrileMol. Formula:
C21H23N5OM.W.:
361.45Type:
---AlogP:
1.75Polar Surface Area:
72.26HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.90DETAILS- ALA5196345
Name:
(2R,4S)-4-phenyl-2-(pyrrolidine-1-carbonyl)pyrrolidineMol. Formula:
C15H20N2OM.W.:
244.34Type:
---AlogP:
1.75Polar Surface Area:
32.34HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.86DETAILS -
Type:
---AlogP:
3.33Polar Surface Area:
32.34HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.92DETAILS -
Type:
---AlogP:
2.40Polar Surface Area:
72.26HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.86DETAILS -
Type:
---AlogP:
1.03Polar Surface Area:
46.33HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.80DETAILS -
Type:
---AlogP:
3.09Polar Surface Area:
48.47HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
---AlogP:
2.63Polar Surface Area:
61.44HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.87DETAILS - 5-(4-Chlorophenyl)pyrrolidin-2-one
Name:
5-(4-chlorophenyl)pyrrolidin-2-oneMol. Formula:
C10H10ClNOM.W.:
195.65Type:
---AlogP:
2.29Polar Surface Area:
29.10HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.73DETAILS - ALA5174785
Name:
2-amino-3-(4-fluorophenyl)-N,N-dimethylpropanamideMol. Formula:
C11H15FN2OM.W.:
210.25Type:
---AlogP:
0.78Polar Surface Area:
46.33HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.80DETAILS - ALA5174487
Name:
(2R)-2-amino-4-phenyl-1-(pyrrolidin-1-yl)butan-1-oneMol. Formula:
C14H20N2OM.W.:
232.33Type:
---AlogP:
1.57Polar Surface Area:
46.33HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.86DETAILS -
Type:
---AlogP:
3.33Polar Surface Area:
32.34HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.92DETAILS - ALA5170507
Name:
2-[(2R,4S)-4-phenylpyrrolidine-2-carbonyl]-2,3-dihydro-1H-isoindoleMol. Formula:
C19H20N2OM.W.:
292.38Type:
---AlogP:
2.67Polar Surface Area:
32.34HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.92DETAILS -
Type:
UnknownAlogP:
3.28Polar Surface Area:
173.26HBA:
8HBD:
6#RO5 Violations:
2#Rotatable Bonds:
23Passes Ro3:
NQED Weighted:
0.06DETAILS - ALA5085306
Name:
(4E,4'E)-7,7'-Disulfanediylbis(N-(tert-butyl)-3-hydroxyhept-4-enamide)Mol. Formula:
C22H40N2O4S2M.W.:
460.71Type:
UnknownAlogP:
3.59Polar Surface Area:
98.66HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.19DETAILS - ALA5084611
Name:
(4E,4'E)-7,7'-Disulfanediylbis(3-hydroxy-N-phenylhept-4-enamide)Mol. Formula:
C26H32N2O4S2M.W.:
500.69Type:
UnknownAlogP:
5.04Polar Surface Area:
98.66HBA:
6HBD:
4#RO5 Violations:
2#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.16DETAILS -
Type:
UnknownAlogP:
3.46Polar Surface Area:
151.26HBA:
10HBD:
4#RO5 Violations:
1#Rotatable Bonds:
23Passes Ro3:
NQED Weighted:
0.06DETAILS
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