Type:
UnknownAlogP:
2.00Polar Surface Area:
46.61HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.62DETAILS
ALA5069926Name:
3alpha-Cinnamoyloxy-N-(3-(4-hydroxyphenyl)propanoyl)nortropaneMol. Formula:
C25H27NO4M.W.:
405.49Type:
UnknownAlogP:
4.10Polar Surface Area:
66.84HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.58DETAILS
Type:
Small moleculeAlogP:
3.61Polar Surface Area:
110.73HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.49DETAILS
Type:
Small moleculeAlogP:
4.31Polar Surface Area:
110.73HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.44DETAILS
Type:
Small moleculeAlogP:
4.77Polar Surface Area:
40.54HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.62DETAILS-
Type:
Small moleculeAlogP:
3.90Polar Surface Area:
80.59HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
1.71Polar Surface Area:
139.92HBA:
9HBD:
5#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.31DETAILS - ALA3786052
Name:
22R,25S-5alpha-cevane-20alpha-hydroxy-6-one-3-O-beta-D-glucosideMol. Formula:
C33H53NO8M.W.:
591.79Type:
Small moleculeAlogP:
1.71Polar Surface Area:
139.92HBA:
9HBD:
5#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.31DETAILS -
Type:
Small moleculeAlogP:
3.89Polar Surface Area:
60.77HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
Small moleculeAlogP:
3.85Polar Surface Area:
69.56HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
Small moleculeAlogP:
2.59Polar Surface Area:
91.32HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
4.03Polar Surface Area:
159.06HBA:
14HBD:
2#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.27DETAILS - ALA3120243
Name:
3-[3-(Piperidin-1-yl)propyl]-3,4-dihydroquinazoline-4-oneMol. Formula:
C16H21N3OM.W.:
271.36Type:
Small moleculeAlogP:
2.27Polar Surface Area:
38.13HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.86DETAILS -
Type:
Small moleculeAlogP:
2.13Polar Surface Area:
38.33HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.79DETAILS
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