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

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Chemoinformaics analysis of Conamine


Physiochemical Properties
Molecular Weight 328.544 nRot 0
Heavy Atom Molecular Weight 292.256 nRig 24
Exact Molecular Weight 328.288 nRing 5
Solubility: LogS -4.151 nHRing 1
Solubility: LogP 3.942 No. of Aliphatic Rings 5
Acid Count 0 No. of Aromatic Rings 0
Base Count 2 No. of Aliphatic Carbocycles Rings 4
Atoms Count 60 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 24 No. of Aromatic Carbocycles 0
nHetero 2 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 3
No. of Hydrogen atom 36 No. of Saturated Hetero Cycles 1
No. of Carbon atom 22 No. of Saturated Rings 4
No. of Nitrogen atom 2 No. of Arom Atom 0
No. of Oxygen atom 0 No. of Arom Bond 0
nHA 2 APOL 62.9445
nHD 1 BPOL 37.2555
Medicinal Chemistry Properties
QED 0.675
Synth 5.01
Natural Product Likeliness 2.731
NR-PPAR-gamma 0.003
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.001
Pgp-sub 0
HIA 0.011
CACO-2 -4.866
Distribution
MDCK 0.00000599
BBB 0.718
PPB 0.67688
VDSS 0.964
Metabolism
FU 0.281132
CYP1A2-inh 0.046
CYP1A2-sub 0.141
CYP2c19-inh 0.024
CYP2c19-sub 0.971
CYP2c9-inh 0.041
CYP2c9-sub 0.032
CYP2d6-inh 0.942
CYP2d6-sub 0.923
CYP3a4-inh 0.138
CYP3a4-sub 0.649
Excretion
CL 19.703
T12 0.039
Toxicity
hERG 0.22
Ames 0.027
ROA 0.199
SkinSen 0.033
Carcinogencity 0.3
EI 0.006
Respiratory 0.976
NR-Aromatase 0.008
Antiviral Prediction
Antiviral No
Prediction 0.716515
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A database of all the medicinal plants having PAN India presence.
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