Type:
Small moleculeAlogP:
2.42Polar Surface Area:
63.60HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.85DETAILS- ALA3286795
Name:
3,5-dibromo-4-methoxybenzoic acidCas Number:
4073-35-2Mol. Formula:
C8H6Br2O3M.W.:
309.94Type:
Small moleculeAlogP:
2.92Polar Surface Area:
46.53HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.91DETAILS Type:
Small moleculeAlogP:
2.16Polar Surface Area:
46.53HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.85DETAILS- ALA3286793
Name:
2,6-dibromo-4-[2-(dimethylamino)ethyl]phenolMol. Formula:
C12H14Br2F3NO3M.W.:
437.05Type:
Small moleculeAlogP:
3.02Polar Surface Area:
23.47HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.92DETAILS Type:
Small moleculeAlogP:
3.30Polar Surface Area:
24.50HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.69DETAILSType:
Small moleculeAlogP:
3.55Polar Surface Area:
32.70HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.39DETAILSType:
Small moleculeAlogP:
2.84Polar Surface Area:
75.63HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.55DETAILSType:
Small moleculeAlogP:
2.93Polar Surface Area:
101.65HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.39DETAILSType:
Small moleculeAlogP:
2.17Polar Surface Area:
101.65HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.45DETAILS- ALA2086867
Name:
(4-(benzyloxy)phenyl)(phenyl)methanoneCas Number:
54589-41-2Mol. Formula:
C20H16O2M.W.:
288.35Type:
Small moleculeAlogP:
4.50Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.65DETAILS Type:
Small moleculeAlogP:
4.83Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.61DETAILSType:
Small moleculeAlogP:
5.07Polar Surface Area:
3.24HBA:
1HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.61DETAILSType:
Small moleculeAlogP:
6.88Polar Surface Area:
3.24HBA:
1HBD:
---#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.35DETAILS- ALA2086863
Name:
N-ethyl-N-tritylethanamineCas Number:
20020-78-4Mol. Formula:
C23H25NM.W.:
315.46Type:
Small moleculeAlogP:
5.32Polar Surface Area:
3.24HBA:
1HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.56DETAILS Type:
Small moleculeAlogP:
6.52Polar Surface Area:
12.03HBA:
1HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.38DETAILSType:
Small moleculeAlogP:
7.05Polar Surface Area:
12.03HBA:
1HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.36DETAILSType:
Small moleculeAlogP:
5.46Polar Surface Area:
12.47HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.44DETAILSType:
Small moleculeAlogP:
6.62Polar Surface Area:
3.24HBA:
1HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.36DETAILS