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

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Chemoinformaics analysis of Chlorophorin


Physiochemical Properties
Molecular Weight 380.484 nRot 7
Heavy Atom Molecular Weight 352.26 nRig 15
Exact Molecular Weight 380.199 nRing 2
Solubility: LogS -2.988 nHRing 0
Solubility: LogP 6.069 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 56 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 28 No. of Aromatic Carbocycles 2
nHetero 4 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 28 No. of Saturated Hetero Cycles 0
No. of Carbon atom 24 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 12
No. of Oxygen atom 4 No. of Arom Bond 12
nHA 4 APOL 61.9582
nHD 4 BPOL 28.0898
Medicinal Chemistry Properties
QED 0.355
Synth 2.923
Natural Product Likeliness 1.754
NR-PPAR-gamma 0.757
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Rejected
Golden Triangle Accepted
Absorption
Pgp-inh 0.786
Pgp-sub 0.774
HIA 0.013
CACO-2 -5.223
Distribution
MDCK 0.0000217
BBB 0.014
PPB 1.00532
VDSS 0.905
Metabolism
FU 0.00462402
CYP1A2-inh 0.96
CYP1A2-sub 0.576
CYP2c19-inh 0.916
CYP2c19-sub 0.057
CYP2c9-inh 0.755
CYP2c9-sub 0.97
CYP2d6-inh 0.937
CYP2d6-sub 0.915
CYP3a4-inh 0.371
CYP3a4-sub 0.157
Excretion
CL 11.044
T12 0.821
Toxicity
hERG 0.313
Ames 0.024
ROA 0.063
SkinSen 0.965
Carcinogencity 0.057
EI 0.915
Respiratory 0.535
NR-Aromatase 0.883
Antiviral Prediction
Antiviral No
Prediction 0.706298
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