ALA4083481Name:
2,4-Dichloro-N-(1-(3,5-dimethoxybenzyl)piperidin-4-yl)benzamideMol. Formula:
C21H24Cl2N2O3M.W.:
423.34Type:
Small moleculeAlogP:
4.41Polar Surface Area:
50.80HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.75DETAILS
Type:
Small moleculeAlogP:
5.29Polar Surface Area:
73.58HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.32DETAILS
Type:
Small moleculeAlogP:
5.68Polar Surface Area:
73.58HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.28DETAILS
Type:
Small moleculeAlogP:
4.90Polar Surface Area:
73.58HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.36DETAILS
Type:
Small moleculeAlogP:
4.93Polar Surface Area:
92.04HBA:
7HBD:
1#RO5 Violations:
1#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.25DETAILS-
Type:
Small moleculeAlogP:
5.39Polar Surface Area:
64.35HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.42DETAILS - ALA3774880
Name:
rac-(3R,4S)-4-(but-3-yn-1-yl)piperidine-3-carboxylic acidMol. Formula:
C10H15NO2M.W.:
181.24Type:
Small moleculeAlogP:
0.71Polar Surface Area:
49.33HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.63DETAILS - ALA3775161
Name:
rac-(3R,4S)-4-(but-3-en-1-yl)piperidine-3-carboxylic acidMol. Formula:
C10H17NO2M.W.:
183.25Type:
Small moleculeAlogP:
1.26Polar Surface Area:
49.33HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
Small moleculeAlogP:
1.49Polar Surface Area:
49.33HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
Small moleculeAlogP:
3.93Polar Surface Area:
97.69HBA:
7HBD:
2#RO5 Violations:
1#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
Small moleculeAlogP:
4.16Polar Surface Area:
60.77HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA2403792
Name:
(rac)-3-({2-[Tris(4-methoxyphenyl)methoxy]ethyl}amino)butanoic acidMol. Formula:
C28H33NO6M.W.:
479.57Type:
Small moleculeAlogP:
4.47Polar Surface Area:
86.25HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.28DETAILS - ALA2403786
Name:
3-({2-[Tris(4-methoxyphenyl)methoxy]ethyl}amino)propanoic acidMol. Formula:
C27H31NO6M.W.:
465.55Type:
Small moleculeAlogP:
4.09Polar Surface Area:
86.25HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
Small moleculeAlogP:
4.34Polar Surface Area:
49.77HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
4.34Polar Surface Area:
49.77HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA2387666
Name:
1-(2-{(E)-2-[2-Benzylphenyl]vinyloxy}ethyl)nipecotic acidMol. Formula:
C23H27NO3M.W.:
365.47Type:
Small moleculeAlogP:
4.06Polar Surface Area:
49.77HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
Small moleculeAlogP:
5.82Polar Surface Area:
40.54HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA1773946
Name:
(2E)-5-(1H-imidazol-4-yl)pent-2-enoic acid hydrochlorideMol. Formula:
C8H11ClN2O2M.W.:
202.64Type:
Small moleculeAlogP:
0.98Polar Surface Area:
65.98HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.66DETAILS - ALA473113
Name:
2-({2-[Tris-(4-methoxyphenyl)methoxy]ethylamino}-methyl)phenolMol. Formula:
C31H33NO5M.W.:
499.61Type:
Small moleculeAlogP:
5.52Polar Surface Area:
69.18HBA:
6HBD:
2#RO5 Violations:
1#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.20DETAILS -
Type:
Small moleculeAlogP:
5.41Polar Surface Area:
41.49HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.45DETAILS
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