Type:
---AlogP:
2.22Polar Surface Area:
82.61HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.79DETAILS
ALA3764519Name:
(1S,5R)-4-isopropyl-8-oxospiro[4.5]deca-3,6-diene-1-carboxylic acidMol. Formula:
C14H18O3M.W.:
234.29Type:
Small moleculeAlogP:
2.58Polar Surface Area:
54.37HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.75DETAILS
ALA3764226Name:
(4S,5R)-1-(benzyloxymethyl)-4-(hydroxymethyl)spiro[4.5]deca-1,6-dien-8-oneMol. Formula:
C19H22O3M.W.:
298.38Type:
Small moleculeAlogP:
3.05Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.85DETAILS
ALA3763272Name:
(1S,5R)-ethyl 4-methylene-8-oxospiro[4.5]dec-6-ene-1-carboxylateMol. Formula:
C14H18O3M.W.:
234.29Type:
Small moleculeAlogP:
2.42Polar Surface Area:
43.37HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.54DETAILS
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS- ALA3765092
Name:
((1S,5R)-4-isopropyl-8-methylspiro[4.5]deca-3,7-dien-1-yl)methanolMol. Formula:
C15H24OM.W.:
220.36Type:
Small moleculeAlogP:
3.70Polar Surface Area:
20.23HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.70DETAILS - ALA3763916
Name:
(4S,5R)-4-(hydroxymethyl)-1-phenylspiro[4.5]deca-1,6-dien-8-oneMol. Formula:
C17H18O2M.W.:
254.33Type:
Small moleculeAlogP:
2.99Polar Surface Area:
37.30HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.88DETAILS - ALA3763293
Name:
(4S,5R)-4-(hydroxymethyl)-1-methylspiro[4.5]deca-1,6-dien-8-onMol. Formula:
C12H16O2M.W.:
192.26Type:
Small moleculeAlogP:
1.85Polar Surface Area:
37.30HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.64DETAILS - ALA3764924
Name:
(4S,5R)-4-(hydroxymethyl)-1-isopropylspiro[4.5]deca-1,6-dien-8-oneMol. Formula:
C14H20O2M.W.:
220.31Type:
Small moleculeAlogP:
2.49Polar Surface Area:
37.30HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.73DETAILS -
Type:
Small moleculeAlogP:
4.58Polar Surface Area:
64.10HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
Small moleculeAlogP:
4.11Polar Surface Area:
77.24HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
Small moleculeAlogP:
5.49Polar Surface Area:
76.99HBA:
7HBD:
---#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.26DETAILS -
Type:
Small moleculeAlogP:
4.28Polar Surface Area:
94.81HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
Small moleculeAlogP:
2.94Polar Surface Area:
94.81HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
Small moleculeAlogP:
5.12Polar Surface Area:
51.21HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
5.91Polar Surface Area:
59.06HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.62DETAILS -
Type:
Small moleculeAlogP:
3.91Polar Surface Area:
46.17HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.82DETAILS -
Type:
Small moleculeAlogP:
4.09Polar Surface Area:
46.17HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.82DETAILS -
Type:
Small moleculeAlogP:
5.22Polar Surface Area:
46.17HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
Small moleculeAlogP:
4.68Polar Surface Area:
46.17HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.73DETAILS
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