Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
UnknownAlogP:
0.30Polar Surface Area:
237.68HBA:
9HBD:
7#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.17DETAILS
Type:
Small moleculeAlogP:
2.47Polar Surface Area:
115.79HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.69DETAILS
Type:
Small moleculeAlogP:
6.39Polar Surface Area:
122.78HBA:
7HBD:
4#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.20DETAILS
Type:
Small moleculeAlogP:
6.72Polar Surface Area:
139.90HBA:
8HBD:
3#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.16DETAILS-
Type:
Small moleculeAlogP:
7.16Polar Surface Area:
125.86HBA:
7HBD:
4#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.17DETAILS -
Type:
Small moleculeAlogP:
6.39Polar Surface Area:
122.78HBA:
7HBD:
4#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.20DETAILS -
Type:
Small moleculeAlogP:
6.72Polar Surface Area:
139.90HBA:
8HBD:
3#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.16DETAILS - ALA522387
Name:
1-(1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)-3-(naphthalen-1-yl)ureaMol. Formula:
C24H25N5OM.W.:
399.50Type:
Small moleculeAlogP:
5.55Polar Surface Area:
84.97HBA:
4HBD:
3#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.39DETAILS - ALA498947
Name:
1-(1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)-3-(4-chlorophenyl)ureaMol. Formula:
C20H22ClN5OM.W.:
383.88Type:
Small moleculeAlogP:
5.05Polar Surface Area:
84.97HBA:
4HBD:
3#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.55DETAILS - ALA511124
Name:
2-(4-Amino-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)-2-phenyl-ethanolMol. Formula:
C20H18N4OM.W.:
330.39Type:
Small moleculeAlogP:
3.26Polar Surface Area:
76.96HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.60DETAILS - ALA471945
Name:
2-(4-Amino-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)-2-phenyl-ethanolMol. Formula:
C20H18N4OM.W.:
330.39Type:
Small moleculeAlogP:
3.26Polar Surface Area:
76.96HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.60DETAILS -
Type:
Small moleculeAlogP:
2.33Polar Surface Area:
115.29HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.43DETAILS - ALA176705
Name:
5-(4-Methoxy-phenyl)-7-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamineMol. Formula:
C19H16N4OM.W.:
316.36Type:
Small moleculeAlogP:
3.68Polar Surface Area:
65.96HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA174634
Name:
7-Phenyl-5-o-tolyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamineMol. Formula:
C19H16N4M.W.:
300.37Type:
Small moleculeAlogP:
3.98Polar Surface Area:
56.73HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.61DETAILS - ALA366831
Name:
(5,7-Diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methyl-amineMol. Formula:
C19H16N4M.W.:
300.37Type:
Small moleculeAlogP:
4.13Polar Surface Area:
42.74HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA176702
Name:
2-[3-(4-Amino-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)-benzylamino]-ethanolMol. Formula:
C21H21N5OM.W.:
359.43Type:
Small moleculeAlogP:
2.75Polar Surface Area:
88.99HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
3.17Polar Surface Area:
86.19HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA172973
Name:
5-(3-Methoxy-phenyl)-7-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamineMol. Formula:
C19H16N4OM.W.:
316.36Type:
Small moleculeAlogP:
3.68Polar Surface Area:
65.96HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA176309
Name:
5-(3-Chloro-phenyl)-7-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamineMol. Formula:
C18H13ClN4M.W.:
320.78Type:
Small moleculeAlogP:
4.32Polar Surface Area:
56.73HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.60DETAILS
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