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

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Chemoinformaics analysis of Biliverdin


Physiochemical Properties
Molecular Weight 582.657 nRot 11
Heavy Atom Molecular Weight 548.385 nRig 29
Exact Molecular Weight 582.248 nRing 4
Solubility: LogS -2.368 nHRing 4
Solubility: LogP 6.301 No. of Aliphatic Rings 2
Acid Count 2 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 77 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 43 No. of Aromatic Carbocycles 0
nHetero 10 No. of Aromatic Hetero Cycles 2
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 34 No. of Saturated Hetero Cycles 0
No. of Carbon atom 33 No. of Saturated Rings 0
No. of Nitrogen atom 4 No. of Arom Atom 10
No. of Oxygen atom 6 No. of Arom Bond 10
nHA 4 APOL 86.993
nHD 5 BPOL 40.431
Medicinal Chemistry Properties
QED 0.133
Synth 4.437
Natural Product Likeliness 0.443
NR-PPAR-gamma 0.225
Drug Likeliness
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0
Pgp-sub 0.04
HIA 0.015
CACO-2 -6.073
Distribution
MDCK 0.00000264
BBB 0.013
PPB 1.00288
VDSS 0.42
Metabolism
FU 0.0306745
CYP1A2-inh 0.691
CYP1A2-sub 0.55
CYP2c19-inh 0.03
CYP2c19-sub 0.042
CYP2c9-inh 0.086
CYP2c9-sub 0.973
CYP2d6-inh 0.098
CYP2d6-sub 0.636
CYP3a4-inh 0.044
CYP3a4-sub 0.118
Excretion
CL 0.588
T12 0.933
Toxicity
hERG 0.095
Ames 0.073
ROA 0.999
SkinSen 0.87
Carcinogencity 0.819
EI 0.025
Respiratory 0.982
NR-Aromatase 0.737
Antiviral Prediction
Antiviral Yes
Prediction 0.816188
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