Type:
---AlogP:
4.51Polar Surface Area:
89.13HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.46DETAILS
Type:
Small moleculeAlogP:
2.47Polar Surface Area:
72.56HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.79DETAILS
Type:
---AlogP:
3.12Polar Surface Area:
101.60HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.61DETAILS
Type:
Small moleculeAlogP:
5.01Polar Surface Area:
116.01HBA:
6HBD:
2#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.41DETAILS
Type:
Small moleculeAlogP:
5.02Polar Surface Area:
125.24HBA:
7HBD:
2#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.38DETAILS-
Type:
UnknownAlogP:
4.53Polar Surface Area:
143.73HBA:
10HBD:
3#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
Small moleculeAlogP:
3.98Polar Surface Area:
65.86HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.38DETAILS -
Type:
Small moleculeAlogP:
3.63Polar Surface Area:
73.06HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
Small moleculeAlogP:
4.89Polar Surface Area:
109.23HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
4.89Polar Surface Area:
134.47HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.36DETAILS - ALA3925676
Name:
4alpha-(furoic-2-acyl)-4-desoxy-podophyllotoxinMol. Formula:
C27H24O10M.W.:
508.48Type:
Small moleculeAlogP:
3.87Polar Surface Area:
111.89HBA:
10HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
4.33Polar Surface Area:
30.71HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
Small moleculeAlogP:
4.35Polar Surface Area:
68.01HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.55DETAILS - ALA3608986
Name:
(2-(phenylamino)thiazol-5-yl)(o-tolyl)methanoneMol. Formula:
C17H14N2OSM.W.:
294.38Type:
Small moleculeAlogP:
4.43Polar Surface Area:
41.99HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
Small moleculeAlogP:
4.35Polar Surface Area:
68.01HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
4.82Polar Surface Area:
85.13HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.39DETAILS -
Type:
Small moleculeAlogP:
4.48Polar Surface Area:
62.22HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
6.16Polar Surface Area:
71.09HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
Small moleculeAlogP:
4.68Polar Surface Area:
85.13HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.41DETAILS -
Type:
Small moleculeAlogP:
4.78Polar Surface Area:
51.22HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.68DETAILS
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