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

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Chemoinformaics analysis of Cropodine


Physiochemical Properties
Molecular Weight 327.377 nRot 0
Heavy Atom Molecular Weight 302.177 nRig 20
Exact Molecular Weight 327.168 nRing 3
Solubility: LogS -1.161 nHRing 3
Solubility: LogP 0.116 No. of Aliphatic Rings 3
Acid Count 0 No. of Aromatic Rings 0
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 48 No. of Aliphatic Hetero Cycles 3
No. of Heavy Atom 23 No. of Aromatic Carbocycles 0
nHetero 7 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 25 No. of Saturated Hetero Cycles 3
No. of Carbon atom 16 No. of Saturated Rings 3
No. of Nitrogen atom 1 No. of Arom Atom 0
No. of Oxygen atom 6 No. of Arom Bond 0
nHA 7 APOL 49.3018
nHD 2 BPOL 31.9982
Medicinal Chemistry Properties
QED 0.589
Synth 4.96
Natural Product Likeliness 2.399
NR-PPAR-gamma 0.006
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.429
Pgp-sub 0.004
HIA 0.054
CACO-2 -5.171
Distribution
MDCK 0.000115706
BBB 0.784
PPB 0.123976
VDSS 0.82
Metabolism
FU 0.862573
CYP1A2-inh 0.012
CYP1A2-sub 0.086
CYP2c19-inh 0.019
CYP2c19-sub 0.818
CYP2c9-inh 0.003
CYP2c9-sub 0.065
CYP2d6-inh 0.007
CYP2d6-sub 0.362
CYP3a4-inh 0.028
CYP3a4-sub 0.592
Excretion
CL 3.584
T12 0.415
Toxicity
hERG 0.023
Ames 0.015
ROA 0.02
SkinSen 0.056
Carcinogencity 0.059
EI 0.01
Respiratory 0.036
NR-Aromatase 0.019
Antiviral Prediction
Antiviral Yes
Prediction 0.812529
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A database of all the medicinal plants having PAN India presence.
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