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

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Chemoinformaics analysis of RUDMOLLIN


Physiochemical Properties
Molecular Weight 266.337 nRot 1
Heavy Atom Molecular Weight 244.161 nRig 17
Exact Molecular Weight 266.152 nRing 3
Solubility: LogS -2.158 nHRing 1
Solubility: LogP 0.496 No. of Aliphatic Rings 3
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 2
Atoms Count 41 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 19 No. of Aromatic Carbocycles 0
nHetero 4 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 2
No. of Hydrogen atom 22 No. of Saturated Hetero Cycles 1
No. of Carbon atom 15 No. of Saturated Rings 3
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 4 No. of Arom Bond 0
nHA 4 APOL 42.9274
nHD 2 BPOL 24.6746
Medicinal Chemistry Properties
QED 0.554
Synth 4.658
Natural Product Likeliness 3.233
NR-PPAR-gamma 0.672
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.001
Pgp-sub 0
HIA 0.073
CACO-2 -4.909
Distribution
MDCK 0.0000208
BBB 0.941
PPB 0.607938
VDSS 0.869
Metabolism
FU 0.343679
CYP1A2-inh 0.051
CYP1A2-sub 0.192
CYP2c19-inh 0.016
CYP2c19-sub 0.549
CYP2c9-inh 0.026
CYP2c9-sub 0.172
CYP2d6-inh 0.005
CYP2d6-sub 0.334
CYP3a4-inh 0.104
CYP3a4-sub 0.313
Excretion
CL 10.575
T12 0.317
Toxicity
hERG 0.021
Ames 0.02
ROA 0.592
SkinSen 0.234
Carcinogencity 0.586
EI 0.133
Respiratory 0.853
NR-Aromatase 0.079
Antiviral Prediction
Antiviral Yes
Prediction 0.750883
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A database of all the medicinal plants having PAN India presence.
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