NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
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CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.71
Van der Waals volume 354.72
Polar Surface Area 83.45
Van der Waals Surface Area 561.74
Refractivity 108.46

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ELEMENTAL PROPERTIESExact Mass 410.137
Isotope Formula C23H22O7
Dot Disconnected Formula C23H22O7
Dot Disconnected Isotope Formula C23H22O7
Composition C (67.31%), H (5.4%), O (27.29%)
Isotope Composition C (67.31%), H (5.4%), O (27.29%)
Donor Sites 1
Donor Count 1
Acceptor Sites 8
Acceptor Count 7


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TOPOLOGICAL PROPERTIESAtom Count52
Aliphatic Atom Count 18
Aliphatic Bond Count 22
Aromatic Bond Count 12
Asymmetric Atom Count 2
Bond Count 56
Chain Atom Count 8
Chain Bond Count 8
Chiral Center Count 2
Ring Atom Count 22
Ring Bond Count 26
Rotatable Bond Count 2
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 2
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 5
Smallest Ring Size 6
Smallest Ring System Size 5

 






Copyright © 2012. Subhash M. Agagrwal. All Rights Reserved.