Type:
UnknownAlogP:
5.66Polar Surface Area:
159.44HBA:
12HBD:
3#RO5 Violations:
3#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.14DETAILS
Type:
UnknownAlogP:
5.66Polar Surface Area:
159.44HBA:
12HBD:
3#RO5 Violations:
3#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.14DETAILS
Type:
UnknownAlogP:
6.38Polar Surface Area:
137.44HBA:
12HBD:
1#RO5 Violations:
3#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.13DETAILS
Type:
Small moleculeAlogP:
3.36Polar Surface Area:
43.10HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.70DETAILS
ALA1243384Name:
3-[(1E,3E)-4-(4-Chlorophenyl)buta-1,3-dienyl]-4H-chromen-4-oneMol. Formula:
C19H13ClO2M.W.:
308.76Type:
Small moleculeAlogP:
5.17Polar Surface Area:
30.21HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.62DETAILS- ALA1243382
Name:
(E)-6-Chloro-3-(4-chlorostyryl)-4H-chromen-4-oneMol. Formula:
C17H10Cl2O2M.W.:
317.17Type:
Small moleculeAlogP:
5.27Polar Surface Area:
30.21HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA1242948
Name:
6-Chloro-3-[(1E,3E)-4-(4-chlorophenyl)buta-1,3-dienyl]-2H-chromeneMol. Formula:
C19H14Cl2OM.W.:
329.23Type:
Small moleculeAlogP:
6.04Polar Surface Area:
9.23HBA:
1HBD:
---#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA1242920
Name:
6-Chloro-3-[(1E,3E)-4-phenylbuta-1,3-dienyl]-4H-chromen-4-oneMol. Formula:
C19H13ClO2M.W.:
308.76Type:
Small moleculeAlogP:
5.17Polar Surface Area:
30.21HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA1242919
Name:
6-Chloro-3-[(1E,3E)-4-(4-chlorophenyl)buta-1,3-dienyl]-4H-chromen-4-oneMol. Formula:
C19H12Cl2O2M.W.:
343.21Type:
Small moleculeAlogP:
5.83Polar Surface Area:
30.21HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
Small moleculeAlogP:
4.83Polar Surface Area:
9.23HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
Small moleculeAlogP:
4.18Polar Surface Area:
9.23HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
Small moleculeAlogP:
4.62Polar Surface Area:
30.21HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
Small moleculeAlogP:
4.62Polar Surface Area:
30.21HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
Small moleculeAlogP:
3.96Polar Surface Area:
30.21HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
Small moleculeAlogP:
5.04Polar Surface Area:
0.00HBA:
---HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
Small moleculeAlogP:
4.89Polar Surface Area:
0.00HBA:
---HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
Small moleculeAlogP:
4.89Polar Surface Area:
0.00HBA:
---HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
Small moleculeAlogP:
4.84Polar Surface Area:
0.00HBA:
---HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.61DETAILS - ALA62043
Name:
[9-(3,5-Dichloro-benzyl)-9H-purin-6-yl]-dimethyl-amineMol. Formula:
C14H13Cl2N5M.W.:
322.20Type:
Small moleculeAlogP:
3.25Polar Surface Area:
46.84HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA434406
Name:
[9-(3,4-Dichloro-benzyl)-9H-purin-6-yl]-dimethyl-amineMol. Formula:
C14H13Cl2N5M.W.:
322.20Type:
Small moleculeAlogP:
3.25Polar Surface Area:
46.84HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.74DETAILS
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