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

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Chemoinformaics analysis of FORMALDEHYDE


Physiochemical Properties
Molecular Weight 30.026 nRot 0
Heavy Atom Molecular Weight 28.01 nRig 1
Exact Molecular Weight 30.0106 nRing 0
Solubility: LogS 0.876 nHRing 0
Solubility: LogP 0.014 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 4 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 2 No. of Aromatic Carbocycles 0
nHetero 1 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 2 No. of Saturated Hetero Cycles 0
No. of Carbon atom 1 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 1 No. of Arom Bond 0
nHA 1 APOL 3.80559
nHD 0 BPOL 2.87441
Medicinal Chemistry Properties
QED 0.361
Synth 4.044
Natural Product Likeliness 0.41
NR-PPAR-gamma 0.002
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0
Pgp-sub 0.084
HIA 0.005
CACO-2 -4.284
Distribution
MDCK 0.0000611
BBB 0.304
PPB 0.274741
VDSS 0.99
Metabolism
FU 0.816987
CYP1A2-inh 0.108
CYP1A2-sub 0.587
CYP2c19-inh 0.037
CYP2c19-sub 0.232
CYP2c9-inh 0.008
CYP2c9-sub 0.507
CYP2d6-inh 0.006
CYP2d6-sub 0.525
CYP3a4-inh 0.005
CYP3a4-sub 0.16
Excretion
CL 9.976
T12 0.744
Toxicity
hERG 0.036
Ames 0.474
ROA 0.119
SkinSen 0.945
Carcinogencity 0.043
EI 0.996
Respiratory 0.931
NR-Aromatase 0.008
Antiviral Prediction
Antiviral No
Prediction 0.922667
OSADHI

A database of all the medicinal plants having PAN India presence.
Hosted at CSIR-North East Institute of Science and Technology, Jorhat

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