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

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Chemoinformaics analysis of Furomammea D


Physiochemical Properties
Molecular Weight 404.459 nRot 7
Heavy Atom Molecular Weight 376.235 nRig 17
Exact Molecular Weight 404.184 nRing 3
Solubility: LogS -3.672 nHRing 2
Solubility: LogP 4.698 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 57 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 29 No. of Aromatic Carbocycles 1
nHetero 7 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 28 No. of Saturated Hetero Cycles 0
No. of Carbon atom 22 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 10
No. of Oxygen atom 7 No. of Arom Bond 11
nHA 7 APOL 61.0242
nHD 2 BPOL 33.2978
Medicinal Chemistry Properties
QED 0.307
Synth 3.841
Natural Product Likeliness 2.121
NR-PPAR-gamma 0.786
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Rejected
Golden Triangle Accepted
Absorption
Pgp-inh 0.371
Pgp-sub 0.002
HIA 0.021
CACO-2 -4.692
Distribution
MDCK 0.0000134
BBB 0.041
PPB 0.973106
VDSS 0.781
Metabolism
FU 0.0313198
CYP1A2-inh 0.202
CYP1A2-sub 0.573
CYP2c19-inh 0.477
CYP2c19-sub 0.395
CYP2c9-inh 0.742
CYP2c9-sub 0.953
CYP2d6-inh 0.196
CYP2d6-sub 0.458
CYP3a4-inh 0.152
CYP3a4-sub 0.128
Excretion
CL 5.816
T12 0.352
Toxicity
hERG 0.01
Ames 0.545
ROA 0.825
SkinSen 0.532
Carcinogencity 0.937
EI 0.134
Respiratory 0.937
NR-Aromatase 0.9
Antiviral Prediction
Antiviral Yes
Prediction 0.6896
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A database of all the medicinal plants having PAN India presence.
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