ALA5200447Name:
1-(5-methyl-1H-imidazol-4-yl)-9H-pyrido[3,4-b]indoleMol. Formula:
C15H12N4M.W.:
248.29Type:
---AlogP:
3.41Polar Surface Area:
57.36HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.54DETAILS
Type:
UnknownAlogP:
3.21Polar Surface Area:
100.78HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.58DETAILS
ALA4098016Name:
N1-(4-(4-methoxyphenyl)pyrimidin-2-yl)benzene-1,3-diamineMol. Formula:
C17H16N4OM.W.:
292.34Type:
Small moleculeAlogP:
3.48Polar Surface Area:
73.06HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.72DETAILS
Type:
Small moleculeAlogP:
4.64Polar Surface Area:
67.01HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.78DETAILS
Type:
Small moleculeAlogP:
3.93Polar Surface Area:
67.01HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.87DETAILS- ALA3589669
Name:
10-Chloro-3-ethoxy-11H-indolo[3,2-c]quinoline-6-carboxylic acidMol. Formula:
C18H13ClN2O3M.W.:
340.77Type:
Small moleculeAlogP:
4.62Polar Surface Area:
75.21HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.57DETAILS - ALA3589668
Name:
3,10-Dichloro-11H-indolo[3,2-c]quinoline-6-carboxylic acidMol. Formula:
C16H8Cl2N2O2M.W.:
331.16Type:
Small moleculeAlogP:
4.87Polar Surface Area:
65.98HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
Small moleculeAlogP:
2.61Polar Surface Area:
84.75HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
Small moleculeAlogP:
1.25Polar Surface Area:
92.00HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
Small moleculeAlogP:
4.34Polar Surface Area:
3.24HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.81DETAILS -
Type:
Small moleculeAlogP:
1.30Polar Surface Area:
63.07HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
Small moleculeAlogP:
5.36Polar Surface Area:
54.60HBA:
4HBD:
4#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA1241758
Name:
1-(4-cyclobutyl-3H-pyrrol-2-yl)-3-(isoquinolin-8-yl)ureaMol. Formula:
C18H18N4OM.W.:
306.37Type:
Small moleculeAlogP:
4.47Polar Surface Area:
69.81HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA478704
Name:
1-(3,4-dimethoxyphenyl)furo[2,3-e]pyrrolo[1,2-a]pyrazin-5(4H)-oneMol. Formula:
C17H14N2O4M.W.:
310.31Type:
Small moleculeAlogP:
3.06Polar Surface Area:
68.87HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA478517
Name:
1-(3,4-Dichlorophenyl)furo[2,3-e]pyrrolo [1,2-a]pyrazin-5(4H)-oneMol. Formula:
C15H8Cl2N2O2M.W.:
319.15Type:
Small moleculeAlogP:
4.35Polar Surface Area:
50.41HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.57DETAILS - ALA478516
Name:
1-(4-Methoxyphenyl)furo[2,3-e]pyrrolo [1,2-a]pyrazin-5(4H)-oneMol. Formula:
C16H12N2O3M.W.:
280.28Type:
Small moleculeAlogP:
3.05Polar Surface Area:
59.64HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.61DETAILS - ALA517669
Name:
1-(4-Methylphenyl)furo[2,3-e]pyrrolo[1,2-a] pyrazin-5(4H)-oneMol. Formula:
C16H12N2O2M.W.:
264.28Type:
Small moleculeAlogP:
3.35Polar Surface Area:
50.41HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.57DETAILS - ALA517818
Name:
1-(4-Fluorophenyl)furo[2,3-e]pyrrolo[1,2-a] pyrazin-5(4H)-oneMol. Formula:
C15H9FN2O2M.W.:
268.25Type:
Small moleculeAlogP:
3.18Polar Surface Area:
50.41HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.58DETAILS - ALA477954
Name:
1-(4-Bromophenyl)furo[2,3-e]pyrrolo[1,2-a] pyrazin-5(4H)-oneMol. Formula:
C15H9BrN2O2M.W.:
329.15Type:
Small moleculeAlogP:
3.80Polar Surface Area:
50.41HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
2.79Polar Surface Area:
71.52HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.61DETAILS
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