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

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Chemoinformaics analysis of Folerogenin


Physiochemical Properties
Molecular Weight 302.282 nRot 2
Heavy Atom Molecular Weight 288.17 nRig 18
Exact Molecular Weight 302.079 nRing 3
Solubility: LogS -2.88 nHRing 1
Solubility: LogP 1.55 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 36 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 22 No. of Aromatic Carbocycles 2
nHetero 6 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 14 No. of Saturated Hetero Cycles 0
No. of Carbon atom 16 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 12
No. of Oxygen atom 6 No. of Arom Bond 12
nHA 6 APOL 40.8671
nHD 3 BPOL 18.3849
Medicinal Chemistry Properties
QED 0.783
Synth 3.304
Natural Product Likeliness 1.284
NR-PPAR-gamma 0.713
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.001
Pgp-sub 0.185
HIA 0.009
CACO-2 -5.088
Distribution
MDCK 0.0000052
BBB 0.042
PPB 0.906368
VDSS 0.958
Metabolism
FU 0.0729676
CYP1A2-inh 0.069
CYP1A2-sub 0.334
CYP2c19-inh 0.12
CYP2c19-sub 0.631
CYP2c9-inh 0.427
CYP2c9-sub 0.96
CYP2d6-inh 0.223
CYP2d6-sub 0.735
CYP3a4-inh 0.124
CYP3a4-sub 0.454
Excretion
CL 5.963
T12 0.534
Toxicity
hERG 0.063
Ames 0.077
ROA 0.208
SkinSen 0.701
Carcinogencity 0.034
EI 0.678
Respiratory 0.316
NR-Aromatase 0.439
Antiviral Prediction
Antiviral Yes
Prediction 0.896283
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