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

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Chemoinformaics analysis of 5-Methylcytosine


Physiochemical Properties
Molecular Weight 125.131 nRot 0
Heavy Atom Molecular Weight 118.075 nRig 8
Exact Molecular Weight 125.059 nRing 1
Solubility: LogS -1.691 nHRing 1
Solubility: LogP -1.317 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 1
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 16 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 9 No. of Aromatic Carbocycles 0
nHetero 4 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 7 No. of Saturated Hetero Cycles 0
No. of Carbon atom 5 No. of Saturated Rings 0
No. of Nitrogen atom 3 No. of Arom Atom 6
No. of Oxygen atom 1 No. of Arom Bond 6
nHA 3 APOL 17.1196
nHD 2 BPOL 9.03045
Medicinal Chemistry Properties
QED 0.429
Synth 3.485
Natural Product Likeliness -0.146
NR-PPAR-gamma 0.002
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0
Pgp-sub 0.787
HIA 0.918
CACO-2 -5.151
Distribution
MDCK 0.000109166
BBB 0.235
PPB 0.0845369
VDSS 0.766
Metabolism
FU 0.80987
CYP1A2-inh 0.053
CYP1A2-sub 0.96
CYP2c19-inh 0.129
CYP2c19-sub 0.054
CYP2c9-inh 0.018
CYP2c9-sub 0.059
CYP2d6-inh 0.078
CYP2d6-sub 0.061
CYP3a4-inh 0.005
CYP3a4-sub 0.184
Excretion
CL 7.092
T12 0.932
Toxicity
hERG 0.049
Ames 0.041
ROA 0.602
SkinSen 0.38
Carcinogencity 0.201
EI 0.818
Respiratory 0.211
NR-Aromatase 0.004
Antiviral Prediction
Antiviral No
Prediction 0.899786
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A database of all the medicinal plants having PAN India presence.
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