OSADHI - Online Structural and Analytics based Database for Herbs of India

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Chemoinformaics analysis of fuberidazole


Physiochemical Properties
Molecular Weight 184.198 nRot 1
Heavy Atom Molecular Weight 176.134 nRig 15
Exact Molecular Weight 184.064 nRing 3
Solubility: LogS -3.473 nHRing 2
Solubility: LogP 2.58 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 22 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 14 No. of Aromatic Carbocycles 1
nHetero 3 No. of Aromatic Hetero Cycles 2
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 8 No. of Saturated Hetero Cycles 0
No. of Carbon atom 11 No. of Saturated Rings 0
No. of Nitrogen atom 2 No. of Arom Atom 14
No. of Oxygen atom 1 No. of Arom Bond 15
nHA 2 APOL 26.7063
nHD 1 BPOL 11.4717
Medicinal Chemistry Properties
QED 0.631
Synth 1.955
Natural Product Likeliness -1.522
NR-PPAR-gamma 0.003
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0.018
Pgp-sub 0.005
HIA 0.006
CACO-2 -4.692
Distribution
MDCK 0.0000248
BBB 0.882
PPB 0.957477
VDSS 1.767
Metabolism
FU 0.0530461
CYP1A2-inh 0.997
CYP1A2-sub 0.773
CYP2c19-inh 0.857
CYP2c19-sub 0.069
CYP2c9-inh 0.13
CYP2c9-sub 0.343
CYP2d6-inh 0.395
CYP2d6-sub 0.246
CYP3a4-inh 0.196
CYP3a4-sub 0.246
Excretion
CL 6.968
T12 0.802
Toxicity
hERG 0.041
Ames 0.233
ROA 0.833
SkinSen 0.057
Carcinogencity 0.678
EI 0.982
Respiratory 0.965
NR-Aromatase 0.059
Antiviral Prediction
Antiviral No
Prediction 0.66933
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