Type:
---AlogP:
2.45Polar Surface Area:
43.60HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.52DETAILS
ALA1684623Name:
5-(4-Methyl[1,4]diazepan-1-yl)indeno[1,2-c]isoquinolin-11-oneMol. Formula:
C22H21N3OM.W.:
343.43Type:
Small moleculeAlogP:
3.59Polar Surface Area:
36.44HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.53DETAILS
Type:
Small moleculeAlogP:
6.85Polar Surface Area:
66.76HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.29DETAILS
ALA477754Name:
(20S,23E)-20,25-dihydroxy-3,4-secodammara-4(28),23-dienoic acidMol. Formula:
C30H50O4M.W.:
474.73Type:
Small moleculeAlogP:
6.76Polar Surface Area:
77.76HBA:
3HBD:
3#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.34DETAILS
ALA478809Name:
(3beta,4beta,22R)-ergosta-5,24(24')-diene-3,4,22-triolMol. Formula:
C28H46O5M.W.:
462.67Type:
Small moleculeAlogP:
3.73Polar Surface Area:
101.15HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.40DETAILS-
Type:
Small moleculeAlogP:
3.62Polar Surface Area:
120.75HBA:
8HBD:
2#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
4.31Polar Surface Area:
83.45HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
2.90Polar Surface Area:
98.36HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
Small moleculeAlogP:
1.31Polar Surface Area:
102.29HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.56DETAILS - ALA464281
Name:
3alpha-acetoxy-4alpha-hydroxy-11(13)-eudesmen-12-oic acid methyl esterMol. Formula:
C18H28O5M.W.:
324.42Type:
Small moleculeAlogP:
2.61Polar Surface Area:
72.83HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
Small moleculeAlogP:
0.76Polar Surface Area:
110.13HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
1.09Polar Surface Area:
102.43HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
1.88Polar Surface Area:
89.90HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
Small moleculeAlogP:
1.93Polar Surface Area:
99.13HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
Small moleculeAlogP:
6.47Polar Surface Area:
119.73HBA:
10HBD:
---#RO5 Violations:
2#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.11DETAILS - ALA459196
Name:
5,3'-Dipent-4-enoyloxy-3,6,7,4'-tetramethoxyflavoneMol. Formula:
C29H30O10M.W.:
538.55Type:
Small moleculeAlogP:
5.24Polar Surface Area:
119.73HBA:
10HBD:
---#RO5 Violations:
2#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.16DETAILS -
Type:
Small moleculeAlogP:
4.91Polar Surface Area:
119.73HBA:
10HBD:
---#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.26DETAILS -
Type:
Small moleculeAlogP:
4.13Polar Surface Area:
119.73HBA:
10HBD:
---#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
Small moleculeAlogP:
5.93Polar Surface Area:
119.73HBA:
10HBD:
---#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.15DETAILS - ALA462317
Name:
3'-Benzoyloxy-5-hydroxy-3,6,7,4'-tetramethoxyflavoneMol. Formula:
C26H22O9M.W.:
478.45Type:
Small moleculeAlogP:
4.42Polar Surface Area:
113.66HBA:
9HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.30DETAILS
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