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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.07
Van der Waals volume 456.32
Polar Surface Area 118.98
Van der Waals Surface Area 718.3
Refractivity 133.38

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ELEMENTAL PROPERTIESExact Mass 534.153
Isotope Formula C29H26O10
Dot Disconnected Formula C29H26O10
Dot Disconnected Isotope Formula C29H26O10
Composition C (65.16%), H (4.9%), O (29.93%)
Isotope Composition C (65.16%), H (4.9%), O (29.93%)
Donor Sites 1
Donor Count 1
Acceptor Sites 10
Acceptor Count 8


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TOPOLOGICAL PROPERTIESAtom Count65
Aliphatic Atom Count 21
Aliphatic Bond Count 26
Aromatic Bond Count 18
Asymmetric Atom Count 5
Bond Count 70
Chain Atom Count 12
Chain Bond Count 14
Chiral Center Count 5
Ring Atom Count 27
Ring Bond Count 30
Rotatable Bond Count 8
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 3
Carbo Ring Count 4
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 3
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 6
Smallest Ring Size 5
Smallest Ring System Size 1

 






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