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

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Chemoinformaics analysis of cystine


Physiochemical Properties
Molecular Weight 240.306 nRot 7
Heavy Atom Molecular Weight 228.21 nRig 2
Exact Molecular Weight 240.024 nRing 0
Solubility: LogS -2.891 nHRing 0
Solubility: LogP -4.563 No. of Aliphatic Rings 0
Acid Count 2 No. of Aromatic Rings 0
Base Count 2 No. of Aliphatic Carbocycles Rings 0
Atoms Count 26 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 14 No. of Aromatic Carbocycles 0
nHetero 8 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 12 No. of Saturated Hetero Cycles 0
No. of Carbon atom 6 No. of Saturated Rings 0
No. of Nitrogen atom 2 No. of Arom Atom 0
No. of Oxygen atom 4 No. of Arom Bond 0
nHA 6 APOL 29.2295
nHD 4 BPOL 15.0945
Medicinal Chemistry Properties
QED 0.336
Synth 3.497
Natural Product Likeliness 0.719
NR-PPAR-gamma 0.115
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0
Pgp-sub 0.065
HIA 0.021
CACO-2 -6.227
Distribution
MDCK 0.00335939
BBB 0.476
PPB 0.106074
VDSS 0.431
Metabolism
FU 0.758411
CYP1A2-inh 0.004
CYP1A2-sub 0.016
CYP2c19-inh 0.053
CYP2c19-sub 0.04
CYP2c9-inh 0.234
CYP2c9-sub 0.139
CYP2d6-inh 0.033
CYP2d6-sub 0.164
CYP3a4-inh 0.013
CYP3a4-sub 0.007
Excretion
CL 12.17
T12 0.724
Toxicity
hERG 0.032
Ames 0.223
ROA 0.084
SkinSen 0.369
Carcinogencity 0.134
EI 0.073
Respiratory 0.366
NR-Aromatase 0.018
Antiviral Prediction
Antiviral No
Prediction 0.890568
OSADHI

A database of all the medicinal plants having PAN India presence.
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