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

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Chemoinformaics analysis of Galegine


Physiochemical Properties
Molecular Weight 127.191 nRot 2
Heavy Atom Molecular Weight 114.087 nRig 2
Exact Molecular Weight 127.111 nRing 0
Solubility: LogS -1.173 nHRing 0
Solubility: LogP 0.962 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 0
Base Count 3 No. of Aliphatic Carbocycles Rings 0
Atoms Count 22 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 9 No. of Aromatic Carbocycles 0
nHetero 3 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 13 No. of Saturated Hetero Cycles 0
No. of Carbon atom 6 No. of Saturated Rings 0
No. of Nitrogen atom 3 No. of Arom Atom 0
No. of Oxygen atom 0 No. of Arom Bond 0
nHA 1 APOL 21.9883
nHD 2 BPOL 13.0417
Medicinal Chemistry Properties
QED 0.317
Synth 3.058
Natural Product Likeliness 1.976
NR-PPAR-gamma 0.003
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0
Pgp-sub 0.983
HIA 0.004
CACO-2 -5.004
Distribution
MDCK 0.000327953
BBB 0.574
PPB 0.413824
VDSS 1.53
Metabolism
FU 0.720676
CYP1A2-inh 0.229
CYP1A2-sub 0.105
CYP2c19-inh 0.02
CYP2c19-sub 0.06
CYP2c9-inh 0.002
CYP2c9-sub 0.027
CYP2d6-inh 0.658
CYP2d6-sub 0.731
CYP3a4-inh 0.005
CYP3a4-sub 0.157
Excretion
CL 9.385
T12 0.243
Toxicity
hERG 0.29
Ames 0.01
ROA 0.55
SkinSen 0.587
Carcinogencity 0.083
EI 0.027
Respiratory 0.28
NR-Aromatase 0.003
Antiviral Prediction
Antiviral No
Prediction 0.969578
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