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

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Chemoinformaics analysis of CHERIANOINE


Physiochemical Properties
Molecular Weight 235.239 nRot 2
Heavy Atom Molecular Weight 222.135 nRig 12
Exact Molecular Weight 235.084 nRing 2
Solubility: LogS -1.794 nHRing 1
Solubility: LogP 0.851 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 30 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 17 No. of Aromatic Carbocycles 1
nHetero 5 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 13 No. of Saturated Hetero Cycles 0
No. of Carbon atom 12 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 10
No. of Oxygen atom 4 No. of Arom Bond 11
nHA 5 APOL 33.0163
nHD 1 BPOL 19.0917
Medicinal Chemistry Properties
QED 0.851
Synth 2.363
Natural Product Likeliness 0.654
NR-PPAR-gamma 0.833
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.002
Pgp-sub 0.003
HIA 0.015
CACO-2 -4.873
Distribution
MDCK 0.0000195
BBB 0.983
PPB 0.683288
VDSS 1.184
Metabolism
FU 0.218548
CYP1A2-inh 0.878
CYP1A2-sub 0.971
CYP2c19-inh 0.184
CYP2c19-sub 0.849
CYP2c9-inh 0.119
CYP2c9-sub 0.773
CYP2d6-inh 0.018
CYP2d6-sub 0.624
CYP3a4-inh 0.108
CYP3a4-sub 0.361
Excretion
CL 8.294
T12 0.809
Toxicity
hERG 0.017
Ames 0.495
ROA 0.492
SkinSen 0.351
Carcinogencity 0.105
EI 0.329
Respiratory 0.496
NR-Aromatase 0.489
Antiviral Prediction
Antiviral No
Prediction 0.643341
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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