Type:
Small moleculeAlogP:
6.67Polar Surface Area:
64.21HBA:
4HBD:
1#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.13DETAILS
Type:
Small moleculeAlogP:
6.18Polar Surface Area:
64.21HBA:
5HBD:
1#RO5 Violations:
2#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.13DETAILS
Type:
Small moleculeAlogP:
6.08Polar Surface Area:
64.21HBA:
4HBD:
1#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.16DETAILS
Type:
Small moleculeAlogP:
6.08Polar Surface Area:
64.21HBA:
4HBD:
1#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.16DETAILS
Type:
Small moleculeAlogP:
5.50Polar Surface Area:
64.21HBA:
4HBD:
1#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.21DETAILS-
Type:
Small moleculeAlogP:
5.83Polar Surface Area:
64.21HBA:
4HBD:
1#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.17DETAILS -
Type:
Small moleculeAlogP:
5.35Polar Surface Area:
64.21HBA:
5HBD:
1#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.20DETAILS -
Type:
Small moleculeAlogP:
5.25Polar Surface Area:
64.21HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.25DETAILS -
Type:
Small moleculeAlogP:
5.25Polar Surface Area:
84.22HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
Small moleculeAlogP:
4.76Polar Surface Area:
84.22HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.36DETAILS - ALA1094612
Name:
N-(9-Phenylpropyl-b-carboline-3-carbonyl)-L-valineMol. Formula:
C26H27N3O3M.W.:
429.52Type:
Small moleculeAlogP:
4.66Polar Surface Area:
84.22HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
4.03Polar Surface Area:
84.22HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.49DETAILS - ALA1096616
Name:
N-(9-Benzyl-b-carboline-3-carbonyl)-L-methionineMol. Formula:
C24H23N3O3SM.W.:
433.53Type:
Small moleculeAlogP:
4.17Polar Surface Area:
84.22HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
4.12Polar Surface Area:
104.45HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.39DETAILS - ALA1096294
Name:
N-(9-Butyl-b-carboline-3-carbonyl)-L-phenylalanineMol. Formula:
C25H25N3O3M.W.:
415.49Type:
Small moleculeAlogP:
4.42Polar Surface Area:
84.22HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA1096293
Name:
N-(9-Butyl-b-carboline-3-carbonyl)-L-methionineMol. Formula:
C21H25N3O3SM.W.:
399.52Type:
Small moleculeAlogP:
3.93Polar Surface Area:
84.22HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
Small moleculeAlogP:
5.20Polar Surface Area:
73.22HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
Small moleculeAlogP:
4.71Polar Surface Area:
73.22HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
5.73Polar Surface Area:
73.22HBA:
5HBD:
1#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.25DETAILS -
Type:
Small moleculeAlogP:
5.24Polar Surface Area:
73.22HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.29DETAILS
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