Type:
Small moleculeAlogP:
5.26Polar Surface Area:
139.06HBA:
8HBD:
3#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.30DETAILSType:
Small moleculeAlogP:
5.34Polar Surface Area:
129.83HBA:
7HBD:
3#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.34DETAILSType:
Small moleculeAlogP:
2.98Polar Surface Area:
123.27HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.49DETAILSType:
Small moleculeAlogP:
2.89Polar Surface Area:
134.27HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.45DETAILSType:
Small moleculeAlogP:
6.57Polar Surface Area:
135.41HBA:
10HBD:
---#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.08DETAILSType:
Small moleculeAlogP:
2.97Polar Surface Area:
143.50HBA:
9HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.25DETAILSType:
Small moleculeAlogP:
4.97Polar Surface Area:
129.34HBA:
9HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.29DETAILSType:
Small moleculeAlogP:
3.95Polar Surface Area:
129.34HBA:
9HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.33DETAILSType:
Small moleculeAlogP:
4.99Polar Surface Area:
129.34HBA:
9HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.29DETAILSType:
Small moleculeAlogP:
4.99Polar Surface Area:
129.34HBA:
9HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.22DETAILSType:
Small moleculeAlogP:
6.85Polar Surface Area:
135.41HBA:
10HBD:
---#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.11DETAILSType:
Small moleculeAlogP:
3.82Polar Surface Area:
149.57HBA:
10HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.23DETAILSType:
Small moleculeAlogP:
2.19Polar Surface Area:
135.80HBA:
9HBD:
2#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.47DETAILS- ALA2271723
Name:
3,6-O,Odibenzoyl-3-detigloyl-2-hydroxyisoswietenineMol. Formula:
C41H42O11M.W.:
710.78Type:
Small moleculeAlogP:
5.82Polar Surface Area:
155.64HBA:
11HBD:
1#RO5 Violations:
3#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.14DETAILS - ALA2271722
Name:
3,6-O,O-dipropionyl-3-detigloyl-2-hydroxyisoswietenineMol. Formula:
C33H42O11M.W.:
614.69Type:
Small moleculeAlogP:
3.73Polar Surface Area:
155.64HBA:
11HBD:
1#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.21DETAILS Type:
Small moleculeAlogP:
2.10Polar Surface Area:
143.50HBA:
9HBD:
3#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.42DETAILSType:
Small moleculeAlogP:
2.01Polar Surface Area:
154.50HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.37DETAILSType:
Small moleculeAlogP:
3.80Polar Surface Area:
129.34HBA:
9HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.34DETAILSType:
Small moleculeAlogP:
6.70Polar Surface Area:
135.41HBA:
10HBD:
---#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.11DETAILSType:
Small moleculeAlogP:
4.84Polar Surface Area:
129.34HBA:
9HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.30DETAILS