Type:
UnknownAlogP:
2.62Polar Surface Area:
85.51HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.73DETAILS
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
ALA4794734Name:
(E)-2-(2-(6,7-Dihydroquinolin-8(5H)-ylidene)hydrazinyl)-benzo[d]thiazoleMol. Formula:
C16H14N4SM.W.:
294.38Type:
UnknownAlogP:
3.84Polar Surface Area:
50.17HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.73DETAILS
ALA4791490Name:
(E)-8-(2-(1H-Benzo[d]imidazol-2-yl)hydrazono)-5,6,7,8-tetrahydroquinolineMol. Formula:
C16H15N5M.W.:
277.33Type:
UnknownAlogP:
3.11Polar Surface Area:
65.96HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.71DETAILS
Type:
UnknownAlogP:
3.45Polar Surface Area:
50.17HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.73DETAILS- ALA4470335
Name:
1-but-3-ynoyl-3,5-bis[(4-fluoro-3-nitrophenyl)methylene]azepan-4-oneMol. Formula:
C24H17F2N3O6M.W.:
481.41Type:
UnknownAlogP:
4.07Polar Surface Area:
123.66HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.27DETAILS - ALA4175807
Name:
4-Chloro-N-(3-(4-fluorophenethoxy)benzyl)-N-(pyridin-4-ylmethyl)benzamideMol. Formula:
C28H24ClFN2O2M.W.:
474.96Type:
Small moleculeAlogP:
6.34Polar Surface Area:
42.43HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.28DETAILS - ALA4175496
Name:
4-Methoxy-N-(3-phenethoxybenzyl)-N-(pyridin-4-ylmethyl)benzamideMol. Formula:
C29H28N2O3M.W.:
452.55Type:
Small moleculeAlogP:
5.55Polar Surface Area:
51.66HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.32DETAILS - ALA4175412
Name:
4-Methoxy-N-(3-((3-nitrobenzyl)oxy)benzyl)-N-(pyridin-4-ylmethyl)benzamideMol. Formula:
C28H25N3O5M.W.:
483.52Type:
Small moleculeAlogP:
5.42Polar Surface Area:
94.80HBA:
6HBD:
---#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.22DETAILS -
Type:
Small moleculeAlogP:
5.96Polar Surface Area:
81.20HBA:
6HBD:
---#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.33DETAILS - ALA4174037
Name:
N-(3-((4-fluorobenzyl)oxy)benzyl)-4-methoxy-N-(pyridin-4-ylmethyl)benzamideMol. Formula:
C28H25FN2O3M.W.:
456.52Type:
Small moleculeAlogP:
5.65Polar Surface Area:
51.66HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.33DETAILS - ALA4171639
Name:
N-(3-(4-bromophenethoxy)benzyl)-4-methoxy-N-(pyridin-4-ylmethyl)benzamideMol. Formula:
C29H27BrN2O3M.W.:
531.45Type:
Small moleculeAlogP:
6.32Polar Surface Area:
51.66HBA:
4HBD:
---#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
Small moleculeAlogP:
5.85Polar Surface Area:
68.73HBA:
5HBD:
---#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.26DETAILS - ALA4168301
Name:
4-Methoxy-N-(3-(4-methylphenethoxy)benzyl)-N-(pyridin-4-ylmethyl)benzamideMol. Formula:
C30H30N2O3M.W.:
466.58Type:
Small moleculeAlogP:
5.86Polar Surface Area:
51.66HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
Small moleculeAlogP:
5.96Polar Surface Area:
68.73HBA:
5HBD:
---#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.23DETAILS - ALA4167214
Name:
N-(3-(cyclohexylmethoxy)benzyl)-4-methoxy-N-(pyridin-4-ylmethyl)benzamideMol. Formula:
C28H32N2O3M.W.:
444.58Type:
Small moleculeAlogP:
5.89Polar Surface Area:
51.66HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.41DETAILS -
Type:
Small moleculeAlogP:
5.62Polar Surface Area:
51.66HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
Small moleculeAlogP:
4.74Polar Surface Area:
60.89HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA4163763
Name:
4-Methoxy-N-(3-((4-nitrobenzyl)oxy)benzyl)-N-(pyridin-4-ylmethyl)benzamideMol. Formula:
C28H25N3O5M.W.:
483.52Type:
Small moleculeAlogP:
5.42Polar Surface Area:
94.80HBA:
6HBD:
---#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.22DETAILS -
Type:
Small moleculeAlogP:
6.53Polar Surface Area:
51.66HBA:
4HBD:
---#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.26DETAILS
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