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

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Chemoinformaics analysis of Cadaverine


Physiochemical Properties
Molecular Weight 102.181 nRot 4
Heavy Atom Molecular Weight 88.069 nRig 0
Exact Molecular Weight 102.116 nRing 0
Solubility: LogS 1.114 nHRing 0
Solubility: LogP -0.311 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 0
Base Count 2 No. of Aliphatic Carbocycles Rings 0
Atoms Count 21 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 7 No. of Aromatic Carbocycles 0
nHetero 2 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 14 No. of Saturated Hetero Cycles 0
No. of Carbon atom 5 No. of Saturated Rings 0
No. of Nitrogen atom 2 No. of Arom Atom 0
No. of Oxygen atom 0 No. of Arom Bond 0
nHA 2 APOL 19.8851
nHD 2 BPOL 12.9049
Medicinal Chemistry Properties
QED 0.494
Synth 1.936
Natural Product Likeliness 0.637
NR-PPAR-gamma 0.004
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0.106
Pgp-sub 0.012
HIA 0.052
CACO-2 -6.138
Distribution
MDCK 0.000199808
BBB 0.348
PPB 0.0674659
VDSS 1.209
Metabolism
FU 0.922398
CYP1A2-inh 0.048
CYP1A2-sub 0.111
CYP2c19-inh 0.023
CYP2c19-sub 0.259
CYP2c9-inh 0.004
CYP2c9-sub 0.167
CYP2d6-inh 0.005
CYP2d6-sub 0.899
CYP3a4-inh 0.008
CYP3a4-sub 0.212
Excretion
CL 6.206
T12 0.44
Toxicity
hERG 0.052
Ames 0.036
ROA 0.784
SkinSen 0.9
Carcinogencity 0.099
EI 0.099
Respiratory 0.852
NR-Aromatase 0.012
Antiviral Prediction
Antiviral No
Prediction 0.944831
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A database of all the medicinal plants having PAN India presence.
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