Chemoinformaics analysis of  24-Methyl-Lathosterol


Molecular Weight 400.691 nRot 5
Heavy Atom Molecular Weight 352.307 nRig 20
Exact Molecular Weight 400.371 nRing 4
Solubility: LogS -7.117 nHRing 0
Solubility: LogP 7.112 No. of Aliphatic Rings 4
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 4
Atoms Count 77 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 29 No. of Aromatic Carbocycles 0
nHetero 1 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 3
No. of Hydrogen atom 48 No. of Saturated Hetero Cycles 0
No. of Carbon atom 28 No. of Saturated Rings 3
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 1 No. of Arom Bond 0
nHA 1 APOL 79.5681
nHD 1 BPOL 48.1539
QED 0.47
Synth 4.519
Natural Product Likeliness 2.725
NR-PPAR-gamma 0.011
Lipinski Accepted
Pfizer Rejected
GSK Rejected
Golden Triangle Rejected
Pgp-inh 0.054
Pgp-sub 0
HIA 0.006
CACO-2 -4.686
MDCK 0.00000895
BBB 0.936
PPB 0.988055
VDSS 1.456
FU 0.0132891
CYP1A2-inh 0.066
CYP1A2-sub 0.542
CYP2c19-inh 0.074
CYP2c19-sub 0.934
CYP2c9-inh 0.107
CYP2c9-sub 0.174
CYP2d6-inh 0.006
CYP2d6-sub 0.52
CYP3a4-inh 0.259
CYP3a4-sub 0.61
CL 18.4
T12 0.011
hERG 0.011
Ames 0.018
ROA 0.042
SkinSen 0.056
Carcinogencity 0.033
EI 0.013
Respiratory 0.757
NR-Aromatase 0.006
Antiviral No
Prediction 0.695432