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

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Chemoinformaics analysis of ROSINIDIN


Physiochemical Properties
Molecular Weight 315.301 nRot 3
Heavy Atom Molecular Weight 300.181 nRig 17
Exact Molecular Weight 315.086 nRing 3
Solubility: LogS -3.673 nHRing 1
Solubility: LogP 3.683 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 3
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 38 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 23 No. of Aromatic Carbocycles 2
nHetero 6 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 15 No. of Saturated Hetero Cycles 0
No. of Carbon atom 17 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 16
No. of Oxygen atom 6 No. of Arom Bond 17
nHA 5 APOL 43.2039
nHD 3 BPOL 20.2561
Medicinal Chemistry Properties
QED 0.641
Synth 2.878
Natural Product Likeliness 1.296
NR-PPAR-gamma 0.93
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.019
Pgp-sub 0.243
HIA 0.013
CACO-2 -4.988
Distribution
MDCK 0.000012
BBB 0.006
PPB 0.96183
VDSS 0.67
Metabolism
FU 0.0829366
CYP1A2-inh 0.934
CYP1A2-sub 0.928
CYP2c19-inh 0.092
CYP2c19-sub 0.066
CYP2c9-inh 0.148
CYP2c9-sub 0.868
CYP2d6-inh 0.457
CYP2d6-sub 0.883
CYP3a4-inh 0.264
CYP3a4-sub 0.159
Excretion
CL 10.501
T12 0.884
Toxicity
hERG 0.04
Ames 0.243
ROA 0.078
SkinSen 0.666
Carcinogencity 0.068
EI 0.931
Respiratory 0.478
NR-Aromatase 0.889
Antiviral Prediction
Antiviral Yes
Prediction 0.848582
OSADHI

A database of all the medicinal plants having PAN India presence.
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